Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H16N2O3/c13-11(15)7-4-8-14-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,13,15)(H,14,16)
SMILES NC(=O)CCCNC(=O)OCc1ccccc1
InChI Key TZCMRRZQVXPIDW-UHFFFAOYSA-N
Molecular Formula C12H16N2O3
Exact Mass 236.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZCMRRZQVXPIDW-UHFFFAOYSA-N/NMR/13C/MeOD/75
License URL
Source https://www.chemotion-repository.net/inchikey/TZCMRRZQVXPIDW-UHFFFAOYSA-N/NMR/13C/MeOD/75
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • benzyl N-(4-amino-4-oxobutyl)carbamate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8698925 surechembl
    12478012 pubchem
    Molport-044-649-989 molport
    The data in this table is sourced from UniChem at EBI.