Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H18O3S2/c1-16-12(15)11(13-17-6-3-7-18-13)9-4-2-5-10(14)8-9/h9H,2-8H2,1H3
SMILES	COC(=O)C(=C1SCCCS1)C1CCCC(=O)C1
InChI Key	AJGNXKNGUYYEFE-UHFFFAOYSA-N
Molecular Formula	C13H18O3S2
Exact Mass	286.410 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AJGNXKNGUYYEFE-UHFFFAOYSA-N/1HNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/AJGNXKNGUYYEFE-UHFFFAOYSA-N/1HNMR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:25:38.396442
MetadataModified	2024-09-07T14:23:14.894821
MetadataPublished	2018-05-16
Related Molecule

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

Data-Source Molecule ID	Data-Source
133083269	PubChem
The data in this table is sourced from UniChem at EBI.