Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H16OS2/c1-8(9-3-4-10(12)7-9)11-13-5-2-6-14-11/h9H,2-7H2,1H3
SMILES	O=C1CCC(C1)C(=C1SCCCS1)C
InChI Key	WQJQUKJBHBQXMD-UHFFFAOYSA-N
Molecular Formula	C11H16OS2
Exact Mass	228.374 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WQJQUKJBHBQXMD-UHFFFAOYSA-N/13CNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/WQJQUKJBHBQXMD-UHFFFAOYSA-N/13CNMR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:25:47.834139
MetadataModified	2024-09-07T14:22:48.553681
MetadataPublished	2018-05-16
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
133083267	PubChem
The data in this table is sourced from UniChem at EBI.