Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H16S2/c1-2-5-12-10-13(7-6-11(12)4-1)14-8-3-9-15-13/h1-2,4-5H,3,6-10H2
SMILES	C1CSC2(SC1)CCc1c(C2)cccc1
InChI Key	WWYNGSOFXGSPHO-UHFFFAOYSA-N
Molecular Formula	C13H16S2
Exact Mass	236.396 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WWYNGSOFXGSPHO-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WWYNGSOFXGSPHO-UHFFFAOYSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:56:06.914337
MetadataModified	2024-09-07T12:23:15.675267
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427395	PubChem
J3.268.888H	Nikkaji
SCHEMBL16597321	SureChEMBL
The data in this table is sourced from UniChem at EBI.