Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)
SMILES OC(=O)CCCNC(=O)OCc1ccccc1
InChI Key STQMDRQJSNKUAW-UHFFFAOYSA-N
Molecular Formula C12H15NO4
Exact Mass 237.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/STQMDRQJSNKUAW-UHFFFAOYSA-N/NMR/13C/MeOD/75
License URL
Source https://www.chemotion-repository.net/inchikey/STQMDRQJSNKUAW-UHFFFAOYSA-N/NMR/13C/MeOD/75
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-(phenylmethoxycarbonylamino)butanoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1556967 chembl
    319161 surechembl
    21184 pubchem
    8LTF87845X fdasrs
    Molport-000-255-090 molport
    The data in this table is sourced from UniChem at EBI.