Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H16S2/c1-2-5-12-10-13(7-6-11(12)4-1)14-8-3-9-15-13/h1-2,4-5H,3,6-10H2
SMILES C1CSC2(SC1)CCc1c(C2)cccc1
InChI Key WWYNGSOFXGSPHO-UHFFFAOYSA-N
Molecular Formula C13H16S2
Exact Mass 236.396 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WWYNGSOFXGSPHO-UHFFFAOYSA-N/NMR/1H/CDCL3/250
License URL
Source https://www.chemotion-repository.net/inchikey/WWYNGSOFXGSPHO-UHFFFAOYSA-N/NMR/1H/CDCL3/250
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • spiro[1,3-dithiane-2,3'-2,4-dihydro-1H-naphthalene]
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427395 PubChem
    J3.268.888H Nikkaji
    SCHEMBL16597321 SureChEMBL
    The data in this table is sourced from UniChem at EBI.