Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H16O3S2/c1-15-11(14)10(12-16-5-6-17-12)8-3-2-4-9(13)7-8/h8H,2-7H2,1H3
SMILES	COC(=O)C(=C1SCCS1)C1CCCC(=O)C1
InChI Key	ZNUPABCJWDFYLZ-UHFFFAOYSA-N
Molecular Formula	C12H16O3S2
Exact Mass	272.384 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZNUPABCJWDFYLZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ZNUPABCJWDFYLZ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:12:18.319109
MetadataModified	2024-09-07T21:52:51.093806
MetadataPublished	2022-02-12
Related Molecule

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

Data-Source Molecule ID	Data-Source
162623406	PubChem
The data in this table is sourced from UniChem at EBI.