Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H24S2/c1-12(2,3)11-5-7-13(8-6-11)14-9-4-10-15-13/h11H,4-10H2,1-3H3
SMILES	CC(C1CCC2(CC1)SCCCS2)(C)C
InChI Key	IEGZEWACYOGSRS-UHFFFAOYSA-N
Molecular Formula	C13H24S2
Exact Mass	244.460 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IEGZEWACYOGSRS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/IEGZEWACYOGSRS-UHFFFAOYSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:55:32.884133
MetadataModified	2024-09-07T12:21:34.790013
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
16059115	PubChem: Thomson Pharma
SCHEMBL17969262	SureChEMBL
J362.401C	Nikkaji
10999291	PubChem
The data in this table is sourced from UniChem at EBI.