Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
SMILES OC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
InChI Key SANNKFASHWONFD-LURJTMIESA-N
Exact Mass 219.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SANNKFASHWONFD-LURJTMIESA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/SANNKFASHWONFD-LURJTMIESA-N/CHMO0000599
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • methyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1222065 ChEMBL
    J465.575C Nikkaji
    DTXSID30427089 EPA CompTox Dashboard
    CB5454347 ChemicalBook
    ZINC000002556975 ZINC
    136772 Brenda
    SCHEMBL313780 SureChEMBL
    16448504 PubChem: Thomson Pharma
    15900275 PubChem: Thomson Pharma
    2766-43-0 ACToR
    7019177 PubChem
    483004 eMolecules
    The data in this table is sourced from UniChem at EBI.