Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H14S2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2/b8-7+
SMILES	C1CSC(SC1)/C=C/c1ccccc1
InChI Key	UOZNYAIYXGTVKD-BQYQJAHWSA-N
Molecular Formula	C12H14S2
Exact Mass	222.370 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOZNYAIYXGTVKD-BQYQJAHWSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/UOZNYAIYXGTVKD-BQYQJAHWSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:55:59.769619
MetadataModified	2024-09-07T12:22:52.531280
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000001764079	ZINC
SCHEMBL16597374	SureChEMBL
J819.617F	Nikkaji
J548.885K	Nikkaji
16948624	PubChem: Thomson Pharma
69178-10-5	ACToR
5372969	PubChem
The data in this table is sourced from UniChem at EBI.