Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO5/c1-17-11(15)10(7-14)13-12(16)18-8-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H,13,16)/t10-/m0/s1
SMILES OC[C@@H](C(=O)OC)NC(=O)OCc1ccccc1
InChI Key CINAUOAOVQPWIB-JTQLQIEISA-N
Exact Mass 253.251 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CINAUOAOVQPWIB-JTQLQIEISA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/CINAUOAOVQPWIB-JTQLQIEISA-N/CHMO0000599
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139899 Brenda
    CB9754579 ChemicalBook
    102523 Brenda
    511973 eMolecules
    15937559 PubChem: Thomson Pharma
    SCHEMBL2256830 SureChEMBL
    1676-81-9 ACToR
    DTXSID90426437 EPA CompTox Dashboard
    ZINC000002027941 ZINC
    J433.258J Nikkaji
    6999535 PubChem
    The data in this table is sourced from UniChem at EBI.