Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C8H12O2S2/c1-2-10-7(9)3-4-8-11-5-6-12-8/h3-4,8H,2,5-6H2,1H3/b4-3+
SMILES	CCOC(=O)/C=C/C1SCCS1
InChI Key	MJRCBULVUSDZPE-ONEGZZNKSA-N
Molecular Formula	C8H12O2S2
Exact Mass	204.310 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/MJRCBULVUSDZPE-ONEGZZNKSA-N/NMR/13C/CDCL3/62.5
License URL
Source	https://www.chemotion-repository.net/inchikey/MJRCBULVUSDZPE-ONEGZZNKSA-N/NMR/13C/CDCL3/62.5
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:48:19.527448
MetadataModified	2024-09-07T12:23:41.078061
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
SCHEMBL16597314	SureChEMBL
73427396	PubChem
The data in this table is sourced from UniChem at EBI.