alpha-[(Benzylcarboxyamido)methyl]-1,3-dioxo-2-isoindolinemalonic acid, triethyl ester

SpectraBase Compound ID	2hZzeZBnmmG
InChI	InChI=1S/C26H28N2O8/c1-4-34-23(31)26(24(32)35-5-2,28-21(29)19-14-10-11-15-20(19)22(28)30)17-27(25(33)36-6-3)16-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
InChIKey	LPNCLDACCVVGHX-UHFFFAOYSA-N Google Search
Mol Weight	496.52 g/mol
Molecular Formula	C26H28N2O8
Exact Mass	496.184566 g/mol

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SpectraBase Spectrum ID	IFOL5gczDfB
Name	alpha-[(Benzylcarboxyamido)methyl]-1,3-dioxo-2-isoindolinemalonic acid, triethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	496.184565862 u
Formula	C26H28N2O8
InChI	InChI=1S/C26H28N2O8/c1-4-34-23(31)26(24(32)35-5-2,28-21(29)19-14-10-11-15-20(19)22(28)30)17-27(25(33)36-6-3)16-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
InChIKey	LPNCLDACCVVGHX-UHFFFAOYSA-N
Molecular Weight	496.516 g/mol
SMILES	C(OC(=O)C(C(OCC)=O)(N1C(C=2C=CC=CC2C1=O)=O)CN(CC=1C=CC=CC1)C(OCC)=O)C