Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1
SMILES NC(=O)[C@@H](N)C
InChI Key HQMLIDZJXVVKCW-REOHCLBHSA-N
Molecular Formula C3H8N2O
Exact Mass 88.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQMLIDZJXVVKCW-REOHCLBHSA-N/NMR/13C/MeOD/100
License URL
Source https://www.chemotion-repository.net/inchikey/HQMLIDZJXVVKCW-REOHCLBHSA-N/NMR/13C/MeOD/100
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (2S)-2-aminopropanamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:21217 chebi
    66N rcsb_pdb
    43026 surechembl
    444939 pubchem
    GOD06L4T27 fdasrs
    100027 brenda
    12954 brenda
    133494 brenda
    168582 brenda
    20327 brenda
    253690 brenda
    36626 brenda
    Molport-002-470-879 molport
    The data in this table is sourced from UniChem at EBI.