Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C10H14OS2/c1-7(10-12-4-5-13-10)8-2-3-9(11)6-8/h8H,2-6H2,1H3
SMILES	O=C1CCC(C1)C(=C1SCCS1)C
InChI Key	QPWUQJGOQDXGSQ-UHFFFAOYSA-N
Molecular Formula	C10H14OS2
Exact Mass	214.348 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QPWUQJGOQDXGSQ-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/QPWUQJGOQDXGSQ-UHFFFAOYSA-N/IR.1
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:34:13.212914
MetadataModified	2024-09-07T15:48:14.853416
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
133083279	PubChem
The data in this table is sourced from UniChem at EBI.