Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H15FN2O2S2/c1-18-12(17)11(13-19-7-2-8-20-13)16-15-10-5-3-9(14)4-6-10/h3-6,13,15H,2,7-8H2,1H3/b16-11+
SMILES COC(=O)/C(=N\Nc1ccc(cc1)F)/C1SCCCS1
InChI Key JVWLXWRVDDKDLA-LFIBNONCSA-N
Molecular Formula C13H15FN2O2S2
Exact Mass 314.399 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JVWLXWRVDDKDLA-LFIBNONCSA-N/NMR/13C/CDCL3/100
License URL
Source https://www.chemotion-repository.net/inchikey/JVWLXWRVDDKDLA-LFIBNONCSA-N/NMR/13C/CDCL3/100
Version
Author Bettina Stanek
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl (2E)-2-(1,3-dithian-2-yl)-2-[(4-fluorophenyl)hydrazinylidene]acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427407 pubchem
    The data in this table is sourced from UniChem at EBI.