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copper(1+);2,9-dimethyl-1,10-phenanthroline;tetrafluoroborate
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/2C14H12N2.BF4.Cu/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2-1(3,4)5;/h2*3-8H,1-2H3;;/q;;-1;+1, and canonical SMILES descriptor[cheminf_000007]: F[B-](F)(F)F.Cc1ccc2c(n1)c1nc(C)ccc1cc2.Cc1ccc2c(n1)c1nc(C)ccc1cc2.[Cu+], and by the IUPAC name[cheminf_000107]: copper(1+);2,9-dimethyl-1,10-phenanthroline;tetrafluoroborate.
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-39259
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:0000025 | cyclic voltammetry (CV)
CHMO:0000025 | cyclic voltammetry (CV)
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
2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)oxirane
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/C18H18O/c1-3-14-4-2-13(1)5-6-15-8-10-16(9-7-14)17(11-15)18-12-19-18/h1-4,8,10-11,18H,5-7,9,12H2, and canonical SMILES descriptor[cheminf_000007]: c1cc2CCc3ccc(CCc1cc2)c(c3)C1OC1, and by the IUPAC name[cheminf_000107]: 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)oxirane.
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-36713
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 79.0 (°C)
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:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0000470 | mass spectrometry (MS)
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
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
mass spectrometry (MS) (5-ethenyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
No full textdataset for mass spectrometry (MS
1H nuclear magnetic resonance spectroscopy (1H NMR) (5-ethenyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR
process (1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanol)
No full textdataset for proces
mass spectrometry (MS) (2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)oxirane)
No full textdataset for mass spectrometry (MS
electrospray ionisation quadrupole detection (ESI Q Trap) ()
No full textdataset for electrospray ionisation quadrupole detection (ESI Q Trap
