Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2
SMILES NCC#C
InChI Key JKANAVGODYYCQF-UHFFFAOYSA-N
Molecular Formula C3H5N
Exact Mass 55.078 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-24
Related Molecule
  • prop-2-yn-1-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    RRA rcsb_pdb
    CHEMBL3263480 chembl
    1499 surechembl
    239041 pubchem
    147639 brenda
    HMDB0256820 hmdb
    Molport-001-785-530 molport
    The data in this table is sourced from UniChem at EBI.