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distortionless enhancement with polarization transfer (DEPT) ((2-acetyl-3-acetyloxyphenyl) acetate)
No full textdataset for distortionless enhancement with polarization transfer (DEPT
1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1-ethynyl-4-fluorobenzene)
No full textdataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC
C30H16Cu6O22
No full textThis is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/3C9H6O6.2C2H4O2.6Cu/c3*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*1-2(3)4;;;;;;/h3*1-3H,(H,10,11)(H,12,13)(H,14,15);2*1H3,(H,3,4);;;;;;/q;;;;;;5*+1/p-7, and canonical SMILES descriptor[cheminf_000007]: [O-]C(=O)C.[O-]C(=O)C.[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O, and by the IUPAC name[cheminf_000107]: .
The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-39567
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:
The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
CHMO:0000156 | X-ray diffraction (XRD)
CHMO:0000225 | spectroscopic ellipsometry (SE)
The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:
Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigation
C30H16Cu6O22
No full textThis is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/3C9H6O6.2C2H4O2.6Cu/c3*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*1-2(3)4;;;;;;/h3*1-3H,(H,10,11)(H,12,13)(H,14,15);2*1H3,(H,3,4);;;;;;/q;;;;;;5*+1/p-7, and canonical SMILES descriptor[cheminf_000007]: [O-]C(=O)C.[O-]C(=O)C.[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O, and by the IUPAC name[cheminf_000107]: .
The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-39507
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:
The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
CHMO:0000156 | X-ray diffraction (XRD)
CHMO:0000225 | spectroscopic ellipsometry (SE)
The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:
Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigation
C30H16Cu6O22
No full textThis is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/3C9H6O6.2C2H4O2.6Cu/c3*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*1-2(3)4;;;;;;/h3*1-3H,(H,10,11)(H,12,13)(H,14,15);2*1H3,(H,3,4);;;;;;/q;;;;;;5*+1/p-7, and canonical SMILES descriptor[cheminf_000007]: [O-]C(=O)C.[O-]C(=O)C.[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O[Cu][Cu]OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O, and by the IUPAC name[cheminf_000107]: .
The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-39563
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:
The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
CHMO:0000156 | X-ray diffraction (XRD)
CHMO:0000225 | spectroscopic ellipsometry (SE)
The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:
Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigation
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-IHUUETIJAD-UHFFFADPSC-NUHFF-GUHFF-NUHFF-ZZZ
No full textEvery synthesis is carried out on a TX-60 6-axis robot from Stäubli in a glovebox under nitrogen atmosphere. From every synthesis two samples are produced. For the synthesis solutions of copper di-acetate monohydrate in 210 mL ethanol and trimesic acid in ethanol includng the modulator water (total volume 210 mL) are prepared separately via ultrasonication --> See Tab "SURMOF Reaction". During the synthesis, the functionalized substrates are subsequently immersed in different solutions in a fixed sequence --> see Tab "SURMOF Reaction". The concentrations of the starting materials A and B are applied in cycles 1 to 3. Subsequently the solutions are swapped immediately after cycle no 3 and the concentrations of starting materials C and D are applied during cycles 4 to 40. All together the synthesis comprises 40 cycles
cyclic voltammetry (CV) (copper(1+);1,1,3,3-tetramethyl-2-quinolin-8-ylguanidine;hexafluorophosphate)
No full textdataset for cyclic voltammetry (CV)
CV (1 mM in MeCN vs. Ref (Fc+/Fc) = 0.38 V, ν = 0.1 V/s, to pos.): E1/2 ([Cu(TMGqu)2]2+/[Cu(TMGqu)2]+, ΔEp) = −0.04 V (80 mV)