Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C6H7ClN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
SMILES	Cc1cnc(c(c1)Cl)N
InChI Key	COTHZSSUQJRBQH-UHFFFAOYSA-N
Exact Mass	142.586 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/COTHZSSUQJRBQH-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/COTHZSSUQJRBQH-UHFFFAOYSA-N/CHMO0000593
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:05:24.623930
MetadataModified	2024-09-23T09:20:30.841122
MetadataPublished	2023-12-13

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : SG-CCP-2552 date : 20231211 starting time : 18.07 h instrument : spect label : CCP-2402 id : 190109 Solvent : DMSO temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : SG-CCP-2552 date : 20231211 starting time : 18.20 h instrument : spect label : CCP-2402 id : 190109 Solvent : chloroform-D1 (CDCl3)