Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H13NS2/c13-6-11-3-1-10(2-4-11)5-12-7-14-9-15-8-12/h1-4,12H,5,7-9H2
SMILES N#Cc1ccc(cc1)CC1CSCSC1
InChI Key RVVAHTWERJYRDV-UHFFFAOYSA-N
Molecular Formula C12H13NS2
Exact Mass 235.368 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVVAHTWERJYRDV-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
License URL
Source https://www.chemotion-repository.net/inchikey/RVVAHTWERJYRDV-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-11-25
Related Molecule
  • 4-(1,3-dithian-5-ylmethyl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    122398418 PubChem
    The data in this table is sourced from UniChem at EBI.