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1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (tetrabutylazanium;iodide)
No full textdataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC
1H nuclear magnetic resonance spectroscopy (1H NMR) (5-bromothiophene-2-carboxylic acid)
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR
1H nuclear magnetic resonance spectroscopy (1H NMR) (1-tert-butyl-4-ethynylbenzene)
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR
1H--1H correlation spectroscopy (1H-1H COSY) (4-methylpyrimidin-2-amine)
No full textdataset for 1H--1H correlation spectroscopy (1H-1H COSY
1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (4-methylpyrimidin-2-amine)
No full textdataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC
4-(N-Methyl-4'-pyridinium)-16-(E)-azophenyl[2.2]paracyclophane iodide
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/C28H26N3.HI/c1-31-17-15-24(16-18-31)27-19-21-7-11-23(27)12-8-22-10-14-25(13-9-21)28(20-22)30-29-26-5-3-2-4-6-26;/h2-7,10-11,14-20H,8-9,12-13H2,1H3;1H/q+1;/p-1/b30-29+;, and canonical SMILES descriptor[cheminf_000007]: C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3/N=N/c1ccccc1.[I-], 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-26190
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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0000470 | mass spectrometry (MS)
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
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
C32H32I2N2
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/C32H32N2.2HI/c1-33-19-15-25(16-20-33)3-13-31-23-27-5-9-29(31)11-7-28-6-10-30(12-8-27)32(24-28)14-4-26-17-21-34(2)22-18-26;;/h3-6,9-10,13-24H,7-8,11-12H2,1-2H3;2*1H/q+2;;/p-2/b13-3+,14-4+;;, and canonical SMILES descriptor[cheminf_000007]: C[n+]1ccc(cc1)/C=C/c1cc2CCc3ccc(CCc1cc2)cc3/C=C/c1cc[n+](cc1)C.[I-].[I-], 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-26374
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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0000470 | mass spectrometry (MS)
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
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
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR
1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
No full textdataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC
infrared absorption spectroscopy (IR) (4-(11,13,15-tripyridin-4-yl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl)pyridine)
No full textdataset for infrared absorption spectroscopy (IR