Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H24O2S2/c1-5-13(15)17-8-6-7-16-12(10(2)3)9-11(4)14/h10,12H,5-9H2,1-4H3
SMILES	CCC(=O)SCCCSC(C(C)C)CC(=O)C
InChI Key	LGBVJUDEOLYQDS-UHFFFAOYSA-N
Molecular Formula	C13H24O2S2
Exact Mass	276.458 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LGBVJUDEOLYQDS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LGBVJUDEOLYQDS-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:27:10.602775
MetadataModified	2024-09-07T15:37:52.579799
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453686	PubChem
The data in this table is sourced from UniChem at EBI.