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1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[3-[[2-(4-methoxyphenyl)-2-oxoethoxy]carbonyl]phenyl]-1,3-dioxo-, 2-(4-methoxyphenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[3-[[2-(4-methoxyphenyl)-2-oxoethoxy]carbonyl]phenyl]-1,3-dioxo-, 2-(4-methoxyphenyl)-2-oxoethyl ester
SpectraBase Compound ID 1ZrvCGh144i
InChI InChI=1S/C34H25NO10/c1-42-25-11-6-20(7-12-25)29(36)18-44-33(40)22-4-3-5-24(16-22)35-31(38)27-15-10-23(17-28(27)32(35)39)34(41)45-19-30(37)21-8-13-26(43-2)14-9-21/h3-17H,18-19H2,1-2H3
InChIKey BKQWHWBHQSNURD-UHFFFAOYSA-N
Mol Weight 607.6 g/mol
Molecular Formula C34H25NO10
Exact Mass 607.147846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEfoJfT5q06
Name 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-[3-[[2-(4-methoxyphenyl)-2-oxoethoxy]carbonyl]phenyl]-1,3-dioxo-, 2-(4-methoxyphenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 607.147845999 u
Formula C34H25NO10
InChI InChI=1S/C34H25NO10/c1-42-25-11-6-20(7-12-25)29(36)18-44-33(40)22-4-3-5-24(16-22)35-31(38)27-15-10-23(17-28(27)32(35)39)34(41)45-19-30(37)21-8-13-26(43-2)14-9-21/h3-17H,18-19H2,1-2H3
InChIKey BKQWHWBHQSNURD-UHFFFAOYSA-N
Molecular Weight 607.571 g/mol
SMILES COC=1C=CC(C(COC(C=2C=C(N3C(C=4C=C(C(OCC(C5=CC=C(C=C5)OC)=O)=O)C=CC4C3=O)=O)C=CC2)=O)=O)=CC1