Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H16S2/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-17-11-4-12-18-16/h1-3,5-10,16H,4,11-12H2
SMILES C1CSC(SC1)c1ccc(cc1)c1ccccc1
InChI Key NNNDWNVTLKPUSU-UHFFFAOYSA-N
Molecular Formula C16H16S2
Exact Mass 272.428 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NNNDWNVTLKPUSU-UHFFFAOYSA-N/NMR/1H/CDCL3/300
License URL
Source https://www.chemotion-repository.net/inchikey/NNNDWNVTLKPUSU-UHFFFAOYSA-N/NMR/1H/CDCL3/300
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-(4-phenylphenyl)-1,3-dithiane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J501.813G Nikkaji
    DTXSID70567372 EPA CompTox Dashboard
    SCHEMBL11612135 SureChEMBL
    36780511 eMolecules
    15040193 PubChem
    The data in this table is sourced from UniChem at EBI.