Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H17ClN2O2S2/c1-9-10(15)5-3-6-11(9)16-17-12(13(18)19-2)14-20-7-4-8-21-14/h3,5-6,14,16H,4,7-8H2,1-2H3/b17-12+
SMILES COC(=O)/C(=N\Nc1cccc(c1C)Cl)/C1SCCCS1
InChI Key NVMIQTWQIBJKHM-SFQUDFHCSA-N
Molecular Formula C14H17ClN2O2S2
Exact Mass 344.880 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NVMIQTWQIBJKHM-SFQUDFHCSA-N/NMR/13C/CDCL3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/NVMIQTWQIBJKHM-SFQUDFHCSA-N/NMR/13C/CDCL3/62.5
Version
Author Bettina Stanek
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl (2E)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-2-(1,3-dithian-2-yl)acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427408 pubchem
    The data in this table is sourced from UniChem at EBI.