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

*Links on SpectraBase are not permalinks.

1,3-Dioxo-alpha-[2-(p-tolylcarbamoylethyl]-2-isoindolineacetic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

1,3-Dioxo-alpha-[2-(p-tolylcarbamoylethyl]-2-isoindolineacetic acid
SpectraBase Compound ID 7vZAO3rqSME
InChI InChI=1S/C20H18N2O5/c1-12-6-8-13(9-7-12)21-17(23)11-10-16(20(26)27)22-18(24)14-4-2-3-5-15(14)19(22)25/h2-9,16H,10-11H2,1H3,(H,21,23)(H,26,27)
InChIKey DZODCSYWZAUFLA-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C20H18N2O5
Exact Mass 366.121572 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 CPfgVpEfuIL
Name 1,3-Dioxo-alpha-[2-(p-tolylcarbamoylethyl]-2-isoindolineacetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.121571683 u
Formula C20H18N2O5
InChI InChI=1S/C20H18N2O5/c1-12-6-8-13(9-7-12)21-17(23)11-10-16(20(26)27)22-18(24)14-4-2-3-5-15(14)19(22)25/h2-9,16H,10-11H2,1H3,(H,21,23)(H,26,27)
InChIKey DZODCSYWZAUFLA-UHFFFAOYSA-N
Molecular Weight 366.373 g/mol
SMILES N(C(CCC(C(O)=O)N1C(C=2C=CC=CC2C1=O)=O)=O)C=1C=CC(=CC1)C