Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H22S2/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3
SMILES CC(C1CCC2(CC1)SCCS2)(C)C
InChI Key VESOTKHMMXADSO-UHFFFAOYSA-N
Molecular Formula C12H22S2
Exact Mass 230.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VESOTKHMMXADSO-UHFFFAOYSA-N/NMR/1H/CDCL3/400
License URL
Source https://www.chemotion-repository.net/inchikey/VESOTKHMMXADSO-UHFFFAOYSA-N/NMR/1H/CDCL3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:22:52.522042
MetadataModified 2024-09-07T12:30:32.962337
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
12616133 PubChem
WIKVUH CCDC
J362.400E Nikkaji
DTXSID70504444 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.