Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
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

Metadata Information

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
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (E)-3-(1,3-dithiolan-2-yl)prop-2-enoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16597314 surechembl
    73427396 pubchem
    The data in this table is sourced from UniChem at EBI.