Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H14Cl2S2/c18-12-1-5-14(6-2-12)20-16-9-17(10-16,11-16)21-15-7-3-13(19)4-8-15/h1-8H,9-11H2
SMILES Clc1ccc(cc1)SC12CC(C1)(C2)Sc1ccc(cc1)Cl
InChI Key SJOKHIZPCGZHAT-UHFFFAOYSA-N
Molecular Formula C17H14Cl2S2
Exact Mass 353.329 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJOKHIZPCGZHAT-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/SJOKHIZPCGZHAT-UHFFFAOYSA-N/13CNMR
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-31
Related Molecule
  • 1,3-bis[(4-chlorophenyl)sulfanyl]bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137321245 PubChem
    The data in this table is sourced from UniChem at EBI.