Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H14O2S2/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h3-6H,7-8H2,1-2H3
SMILES CC(=O)SCc1ccc(cc1)CSC(=O)C
InChI Key LMMQNTZMZDKEPJ-UHFFFAOYSA-N
Molecular Formula C12H14O2S2
Exact Mass 254.368 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LMMQNTZMZDKEPJ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/LMMQNTZMZDKEPJ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Mathias Lang
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • S-[[4-(acetylsulfanylmethyl)phenyl]methyl] ethanethioate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10354975 pubchem
    The data in this table is sourced from UniChem at EBI.