Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H7ClN2S/c15-11-5-6-13-12(7-11)17-14(18-13)10-3-1-9(8-16)2-4-10/h1-7H
SMILES	N#Cc1ccc(cc1)c1nc2c(s1)ccc(c2)Cl
InChI Key	XNPQNKNZBZIPFJ-UHFFFAOYSA-N
Molecular Formula	C14H7ClN2S
Exact Mass	270.737 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:36:15.883780
MetadataModified	2024-09-07T17:12:12.334651
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145944368	PubChem
The data in this table is sourced from UniChem at EBI.