Dataset

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

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

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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NDBQJIBNNUJNHA-DFWYDOINSA-N/CHMO0001150
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–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB1737376 ChemicalBook
    SCHEMBL159222 SureChEMBL
    10997273 PubChem
    15243171 PubChem: Thomson Pharma
    16056589 PubChem: Thomson Pharma
    505864 eMolecules
    CHEMBL1222334 ChEMBL
    2723730 PubChem
    The data in this table is sourced from UniChem at EBI.