Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
SMILES C1CSC(SC1)c1ccccc1
InChI Key GXKPARDRBFURON-UHFFFAOYSA-N
Molecular Formula C10H12S2
Exact Mass 196.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GXKPARDRBFURON-UHFFFAOYSA-N/NMR/13C/CDCL3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/GXKPARDRBFURON-UHFFFAOYSA-N/NMR/13C/CDCL3/62.5
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-phenyl-1,3-dithiane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    53TCS8B01P FDA SRS
    5425-44-5 ACToR
    16852620 PubChem: Thomson Pharma
    SCHEMBL24705 SureChEMBL
    494244 eMolecules
    J102.195H Nikkaji
    DTXSID60202604 EPA CompTox Dashboard
    CB1783924 ChemicalBook
    PHENDS CCDC
    ZINC000000393243 ZINC
    10016118 NMRShiftDB
    21547 PubChem
    MCULE-3189209304 Mcule
    The data in this table is sourced from UniChem at EBI.