Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3
SMILES CC1(SCCCS1)c1ccc2c(c1)cccc2
InChI Key YBWHVXDRVWGCNO-UHFFFAOYSA-N
Molecular Formula C15H16S2
Exact Mass 260.418 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBWHVXDRVWGCNO-UHFFFAOYSA-N/NMR/1H/CDCL3/400
License URL
Source https://www.chemotion-repository.net/inchikey/YBWHVXDRVWGCNO-UHFFFAOYSA-N/NMR/1H/CDCL3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-methyl-2-naphthalen-2-yl-1,3-dithiane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    598856 PubChem
    J1.389.800F Nikkaji
    DTXSID00344693 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.