Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:36:19.033551
MetadataModified	2024-09-07T17:12:03.633214
MetadataPublished	2020-02-28
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

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