Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C8H12O2S2/c1-2-10-7(9)3-4-8-11-5-6-12-8/h3-4,8H,2,5-6H2,1H3/b4-3+
SMILES	CCOC(=O)/C=C/C1SCCS1
InChI Key	MJRCBULVUSDZPE-ONEGZZNKSA-N
Molecular Formula	C8H12O2S2
Exact Mass	204.310 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MJRCBULVUSDZPE-ONEGZZNKSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/MJRCBULVUSDZPE-ONEGZZNKSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:56:22.340084
MetadataModified	2024-09-07T12:23:44.687496
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL16597314	SureChEMBL
73427396	PubChem
The data in this table is sourced from UniChem at EBI.