Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C10H8ClNS/c1-7-9(11)12-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3
SMILES	Clc1nc(sc1C)c1ccccc1
InChI Key	BIIUGHHBWIEKNK-UHFFFAOYSA-N
Molecular Formula	C10H8ClNS
Exact Mass	209.695 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BIIUGHHBWIEKNK-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/BIIUGHHBWIEKNK-UHFFFAOYSA-N/CHMO0000593
Version
Author	Uwe Ritter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:12:56.594722
MetadataModified	2024-09-07T20:38:13.613912
MetadataPublished	2021-10-20

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

Data-Source Molecule ID	Data-Source
SCHEMBL3589816	SureChEMBL
68704594	PubChem
The data in this table is sourced from UniChem at EBI.