Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
SMILES COC(=O)[C@@H]([NH3+])CO.[Cl-]
InChI Key NDBQJIBNNUJNHA-DFWYDOINSA-N
Molecular Formula C4H10ClNO3
Exact Mass 155.580 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NDBQJIBNNUJNHA-DFWYDOINSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NDBQJIBNNUJNHA-DFWYDOINSA-N/CHMO0000593
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1222334 chembl
    159222 surechembl
    10997273 pubchem
    2723730 pubchem
    PD195973 probes_and_drugs
    Molport-002-317-296 molport
    The data in this table is sourced from UniChem at EBI.