Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C7H9ClN2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,9-10H2,1H3
SMILES	Cc1cc(N)c(c(c1)Cl)N
InChI Key	UPFHQANNMQQOJI-UHFFFAOYSA-N
Exact Mass	156.613 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UPFHQANNMQQOJI-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/UPFHQANNMQQOJI-UHFFFAOYSA-N/CHMO0000593
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:31:04.245914
MetadataModified	2024-09-23T09:26:23.000607
MetadataPublished	2024-08-15

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : SG-V4085 (17-60) date : 20240124 starting time : 16.58 h instrument : spect label : SG-3492 id : 291369 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
MolPort-026-973-516	MolPort
SCHEMBL5505433	SureChEMBL
ZINC000059684263	ZINC
23131917	PubChem
31262487	eMolecules
The data in this table is sourced from UniChem at EBI.