Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0001150
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–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB9185137 ChemicalBook
    DTXSID30862951 EPA CompTox Dashboard
    HMDB0256820 Human Metabolome Database
    147639 Brenda
    J3.030I Nikkaji
    ZINC000032098729 ZINC
    CHEMBL3263480 ChEMBL
    RRA PDBe
    531122 eMolecules
    15170318 PubChem: Thomson Pharma
    2450-71-7 ACToR
    20180299 NMRShiftDB
    SCHEMBL1499 SureChEMBL
    239041 PubChem
    The data in this table is sourced from UniChem at EBI.