Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
SMILES	ClC1(N=N1)c1ccc(cc1)c1ccccc1
InChI Key	JVPAVUZKMXZLNV-UHFFFAOYSA-N
Exact Mass	228.677 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:42:56.860920
MetadataModified	2024-09-23T09:24:33.667697
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : Feb29-2024 date : 20240229 starting time : 8.31 h instrument : Avance NEO label : KT-774 id : 297463 Solvent : CD2Cl2

Data-Source Molecule ID	Data-Source
12022816	PubChem
J731.158C	Nikkaji
The data in this table is sourced from UniChem at EBI.