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

*Links on SpectraBase are not permalinks.

5-(1,3-Dioxo-1,3-dihydroisoindol-2-ylmethyl)-3-(2-ethoxycarbonylethyl)-4-ethoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid, ethyl ester

View entire compound with spectra: 2 MS (GC)

5-(1,3-Dioxo-1,3-dihydroisoindol-2-ylmethyl)-3-(2-ethoxycarbonylethyl)-4-ethoxycarbonylmethyl-1H-pyrrole-2-carboxylic acid, ethyl ester
SpectraBase Compound ID B44OiMTns5o
InChI InChI=1S/C25H28N2O8/c1-4-33-20(28)12-11-15-18(13-21(29)34-5-2)19(26-22(15)25(32)35-6-3)14-27-23(30)16-9-7-8-10-17(16)24(27)31/h7-10,26H,4-6,11-14H2,1-3H3
InChIKey YQFAOXLEEVFPGS-UHFFFAOYSA-N
Mol Weight 484.51 g/mol
Molecular Formula C25H28N2O8
Exact Mass 484.184566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 994s29ZDCnl
Name 5-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YLMETHYL)-3-(2-ETHOXYCARBONYLETHYL)-4-ETHOXYCARBONYLMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID, ETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H28N2O8
InChI InChI=1S/C25H28N2O8/c1-4-33-20(28)12-11-15-18(13-21(29)34-5-2)19(26-22(15)25(32)35-6-3)14-27-23(30)16-9-7-8-10-17(16)24(27)31/h7-10,26H,4-6,11-14H2,1-3H3
InChIKey YQFAOXLEEVFPGS-UHFFFAOYSA-N
Molecular Weight 484.1838
SMILES [nH]1c(c(c(c1C(OCC)=O)CCC(OCC)=O)CC(OCC)=O)CN1C(=O)c2c(cccc2)C1=O
SPLASH splash10-03di-0114900000-1e0b03fd7fd0b8b2e7e7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany