Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H14OS/c1-13-10-2-4-11(5-3-10)14-12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
SMILES	COc1ccc(cc1)SC12CC(C1)C2
InChI Key	WEAUXDVXOZKGSX-UHFFFAOYSA-N
Molecular Formula	C12H14OS
Exact Mass	206.304 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WEAUXDVXOZKGSX-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WEAUXDVXOZKGSX-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:29:22.666945
MetadataModified	2024-09-07T15:41:07.038700
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453718	PubChem
The data in this table is sourced from UniChem at EBI.