Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C11H14OS2/c12-10(9-5-2-1-3-6-9)11-13-7-4-8-14-11/h1-3,5-6,10-12H,4,7-8H2
SMILES	OC(c1ccccc1)C1SCCCS1
InChI Key	BBPGYLPEDPNIFS-UHFFFAOYSA-N
Molecular Formula	C11H14OS2
Exact Mass	226.358 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BBPGYLPEDPNIFS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BBPGYLPEDPNIFS-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:16.121019
MetadataModified	2024-09-07T15:25:59.298028
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL7675126	SureChEMBL
J1.080.569D	Nikkaji
11031572	PubChem
16095293	PubChem: Thomson Pharma
36778154	eMolecules
The data in this table is sourced from UniChem at EBI.