Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H16OS2/c1-2-10(11-13-5-6-14-11)8-3-4-9(12)7-8/h8H,2-7H2,1H3
SMILES	CCC(=C1SCCS1)C1CCC(=O)C1
InChI Key	BTUSJJHTMUJDHS-UHFFFAOYSA-N
Molecular Formula	C11H16OS2
Exact Mass	228.374 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BTUSJJHTMUJDHS-UHFFFAOYSA-N/1HNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/BTUSJJHTMUJDHS-UHFFFAOYSA-N/1HNMR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:26:45.426431
MetadataModified	2024-09-07T14:24:01.835073
MetadataPublished	2018-05-16
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
133083272	PubChem
The data in this table is sourced from UniChem at EBI.