Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H14OS2/c1-9(13)10-4-2-5-11(8-10)12-14-6-3-7-15-12/h2,4-5,8,12H,3,6-7H2,1H3
SMILES	CC(=O)c1cccc(c1)C1SCCCS1
InChI Key	PRBDSASHNJATKQ-UHFFFAOYSA-N
Molecular Formula	C12H14OS2
Exact Mass	238.369 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PRBDSASHNJATKQ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/PRBDSASHNJATKQ-UHFFFAOYSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:25:12.725984
MetadataModified	2024-09-07T12:34:09.377586
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427415	PubChem
The data in this table is sourced from UniChem at EBI.