Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H20S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h10H,2-9H2,1H3
SMILES	CC1(SCCCS1)C1CCCCC1
InChI Key	RIZSGYIRFNODDH-UHFFFAOYSA-N
Molecular Formula	C11H20S2
Exact Mass	216.407 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/RIZSGYIRFNODDH-UHFFFAOYSA-N/NMR/13C/CDCL3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/RIZSGYIRFNODDH-UHFFFAOYSA-N/NMR/13C/CDCL3/100
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:44:33.894001
MetadataModified	2024-09-07T12:11:29.820203
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427298	PubChem
The data in this table is sourced from UniChem at EBI.