Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H18OS2/c1-4-10(12)7-8(2)9(3)11-13-5-6-14-11/h8H,4-7H2,1-3H3
SMILES	CCC(=O)CC(C(=C1SCCS1)C)C
InChI Key	AGKKZIFNAVODRD-UHFFFAOYSA-N
Molecular Formula	C11H18OS2
Exact Mass	230.390 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AGKKZIFNAVODRD-UHFFFAOYSA-N/1HNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/AGKKZIFNAVODRD-UHFFFAOYSA-N/1HNMR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:22:32.519011
MetadataModified	2024-09-07T14:17:44.323848
MetadataPublished	2018-04-28
Related Molecule

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

Data-Source Molecule ID	Data-Source
133053735	PubChem
The data in this table is sourced from UniChem at EBI.