Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C6H10O2S2/c1-8-6(7)5-2-9-4-10-3-5/h5H,2-4H2,1H3
SMILES	COC(=O)C1CSCSC1
InChI Key	BNEXDOXCTGRPIX-UHFFFAOYSA-N
Molecular Formula	C6H10O2S2
Exact Mass	178.272 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BNEXDOXCTGRPIX-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BNEXDOXCTGRPIX-UHFFFAOYSA-N/IR
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:46:11.637061
MetadataModified	2024-09-07T14:38:07.887810
MetadataPublished	2019-01-21

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
71745908	PubChem
SCHEMBL1866148	SureChEMBL
The data in this table is sourced from UniChem at EBI.