Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H16N2OS/c1-3-16-13-9(2)17-12(15-13)8-10-4-6-11(14)7-5-10/h4-9H,3,14H2,1-2H3/b12-8-
SMILES CCOC1=N/C(=C/c2ccc(cc2)N)/SC1C
InChI Key XCRKWENUDQQROP-WQLSENKSSA-N
Molecular Formula C13H16N2OS
Exact Mass 248.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XCRKWENUDQQROP-WQLSENKSSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XCRKWENUDQQROP-WQLSENKSSA-N/CHMO0000593
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-07
Related Molecule
  • 4-[(Z)-(4-ethoxy-5-methyl-5H-1,3-thiazol-2-ylidene)methyl]aniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168720031 PubChem
    The data in this table is sourced from UniChem at EBI.