Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H 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/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000593
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-03-20
Related Molecule
  • prop-2-yn-1-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : HMS-CCP410

    date : 20240228

    starting time : 18.53 h

    label : CCP-395

    id : 137631

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    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.