Dataset

infrared absorption spectroscopy (IR)

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

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BIIUGHHBWIEKNK-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/BIIUGHHBWIEKNK-UHFFFAOYSA-N/CHMO0000630
Version
Author	Uwe Ritter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:12:54.093302
MetadataModified	2024-09-07T20:38:10.394252
MetadataPublished	2021-10-20

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

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