Dataset

mass spectrometry (MS)

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
Molecular Formula	C13H9ClN2
Exact Mass	228.677 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JVPAVUZKMXZLNV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:43:05.587630
MetadataModified	2024-09-08T03:43:05.587637
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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