For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,3-bis(Benzoyloxy)-4-(benzylamino)-4-oxobutanoic acid

View entire compound with spectra: 2 NMR

2,3-bis(Benzoyloxy)-4-(benzylamino)-4-oxobutanoic acid
SpectraBase Compound ID IY6v4bo0wsd
InChI InChI=1S/C25H21NO7/c27-22(26-16-17-10-4-1-5-11-17)20(32-24(30)18-12-6-2-7-13-18)21(23(28)29)33-25(31)19-14-8-3-9-15-19/h1-15,20-21H,16H2,(H,26,27)(H,28,29)
InChIKey OCAWQFIVEVCIOW-UHFFFAOYSA-N
Mol Weight 447.44 g/mol
Molecular Formula C25H21NO7
Exact Mass 447.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EDwXiKTwWtp
Name 2,3-bis(Benzoyloxy)-4-(benzylamino)-4-oxobutanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.131802013 u
Formula C25H21NO7
InChI InChI=1S/C25H21NO7/c27-22(26-16-17-10-4-1-5-11-17)20(32-24(30)18-12-6-2-7-13-18)21(23(28)29)33-25(31)19-14-8-3-9-15-19/h1-15,20-21H,16H2,(H,26,27)(H,28,29)
InChIKey OCAWQFIVEVCIOW-UHFFFAOYSA-N
Molecular Weight 447.443 g/mol
SMILES OC(C(C(C(NCC=1C=CC=CC1)=O)OC(=O)C=1C=CC=CC1)OC(=O)C1=CC=CC=C1)=O