Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CINAUOAOVQPWIB-JTQLQIEISA-N/CHMO0000595
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2256830 surechembl
    6999535 pubchem
    PD196533 probes_and_drugs
    102523 brenda
    139899 brenda
    Molport-002-317-363 molport
    The data in this table is sourced from UniChem at EBI.