Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H16OS2/c1-3-9(11)6-8(2)7-10-12-4-5-13-10/h7-8H,3-6H2,1-2H3
SMILES CCC(=O)CC(C=C1SCCS1)C
InChI Key UAXCQPMMEQTBAO-UHFFFAOYSA-N
Molecular Formula C10H16OS2
Exact Mass 216.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UAXCQPMMEQTBAO-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/UAXCQPMMEQTBAO-UHFFFAOYSA-N/1HNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-29
Related Molecule
  • 6-(1,3-dithiolan-2-ylidene)-5-methylhexan-3-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053744 PubChem
    The data in this table is sourced from UniChem at EBI.