Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

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/1H/MeOD/300
License URL
Source https://www.chemotion-repository.net/inchikey/HQMLIDZJXVVKCW-REOHCLBHSA-N/NMR/1H/MeOD/300
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (2S)-2-aminopropanamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    100027 Brenda
    20327 Brenda
    133494 Brenda
    253690 Brenda
    J353.751J Nikkaji
    66N PDBe
    DTXSID60223470 EPA CompTox Dashboard
    ZINC000002046876 ZINC
    12954 Brenda
    36626 Brenda
    168582 Brenda
    MCULE-4716963408 Mcule
    SCHEMBL43026 SureChEMBL
    2870855 eMolecules
    444939 PubChem
    21217 ChEBI
    14867141 PubChem: Thomson Pharma
    GOD06L4T27 FDA SRS
    The data in this table is sourced from UniChem at EBI.