Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

molecular Image
InChI InChI=1S/C13H14N2O3S/c1-3-18-13-9(2)19-12(14-13)8-10-4-6-11(7-5-10)15(16)17/h4-9H,3H2,1-2H3/b12-8-
SMILES CCOC1=N/C(=C/c2ccc(cc2)[N+](=O)[O-])/SC1C
InChI Key MKZKXVUZVQMBSS-WQLSENKSSA-N
Molecular Formula C13H14N2O3S
Exact Mass 278.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MKZKXVUZVQMBSS-WQLSENKSSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MKZKXVUZVQMBSS-WQLSENKSSA-N/CHMO0000593
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-07
Related Molecule
  • (2Z)-4-ethoxy-5-methyl-2-[(4-nitrophenyl)methylidene]-5H-1,3-thiazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168720032 PubChem
    The data in this table is sourced from UniChem at EBI.