Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H16N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h1-8H,9-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-
SMILES O=C(/C=C\C(=O)O)NCc1cccc(c1)CNC(=O)/C=C\C(=O)O
InChI Key OOFBGHCVZDGOMM-PEPZGXQESA-N
Molecular Formula C16H16N2O6
Exact Mass 332.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OOFBGHCVZDGOMM-PEPZGXQESA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/OOFBGHCVZDGOMM-PEPZGXQESA-N/CHMO0000595
Version
Author hatice mutlu
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-10
Related Molecule
  • (Z)-4-[[3-[[[(Z)-3-carboxyprop-2-enoyl]amino]methyl]phenyl]methylamino]-4-oxobut-2-enoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000033301791 ZINC
    5289823 PubChem
    SCHEMBL1552725 SureChEMBL
    MCULE-2081639336 Mcule
    The data in this table is sourced from UniChem at EBI.