Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H18O2S2/c15-11-3-1-9(7-11)13(14-17-5-6-18-14)10-2-4-12(16)8-10/h9-10H,1-8H2
SMILES	O=C1CCC(C1)C(=C1SCCS1)C1CCC(=O)C1
InChI Key	DENARIJVSXWQSI-UHFFFAOYSA-N
Molecular Formula	C14H18O2S2
Exact Mass	282.422 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DENARIJVSXWQSI-UHFFFAOYSA-N/1HNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/DENARIJVSXWQSI-UHFFFAOYSA-N/1HNMR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:38:45.729503
MetadataModified	2024-09-07T14:27:18.051492
MetadataPublished	2018-05-18
Related Molecule

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

Data-Source Molecule ID	Data-Source
133084227	PubChem
The data in this table is sourced from UniChem at EBI.