Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H14OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/b8-7+
SMILES CC(=O)/C=C/C(=C1SCCS1)c1ccccc1
InChI Key UORDPIWKYNURLV-BQYQJAHWSA-N
Molecular Formula C14H14OS2
Exact Mass 262.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UORDPIWKYNURLV-BQYQJAHWSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/UORDPIWKYNURLV-BQYQJAHWSA-N/1HNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • (E)-5-(1,3-dithiolan-2-ylidene)-5-phenylpent-3-en-2-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083271 PubChem
    The data in this table is sourced from UniChem at EBI.