Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O2/c1-4-10-5-7-11(8-6-10)9-13-16-12(15)14(2)3/h1,5-9H,2-3H3/b13-9+
SMILES CN(C(=O)O/N=C/c1ccc(cc1)C#C)C
InChI Key BIJWBGUJDOSOAH-UKTHLTGXSA-N
Exact Mass 216.236 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BIJWBGUJDOSOAH-UKTHLTGXSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BIJWBGUJDOSOAH-UKTHLTGXSA-N/CHMO0000593
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • nfdi4chem-mol8097 (Unknown Molecule)
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.