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1H-isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-alpha-(phenylmethyl)-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

1H-isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-alpha-(phenylmethyl)-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID DOoyizAAQMA
InChI InChI=1S/C25H18BrNO5/c26-18-12-10-17(11-13-18)22(28)15-32-25(31)21(14-16-6-2-1-3-7-16)27-23(29)19-8-4-5-9-20(19)24(27)30/h1-13,21H,14-15H2
InChIKey XTIAYBHFKIOSKS-UHFFFAOYSA-N
Mol Weight 492.33 g/mol
Molecular Formula C25H18BrNO5
Exact Mass 491.036836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWWG4stPFmb
Name 1H-Isoindole-2-acetic acid, 2,3-dihydro-1,3-dioxo-alpha-(phenylmethyl)-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.036835679 u
Formula C25H18BrNO5
InChI InChI=1S/C25H18BrNO5/c26-18-12-10-17(11-13-18)22(28)15-32-25(31)21(14-16-6-2-1-3-7-16)27-23(29)19-8-4-5-9-20(19)24(27)30/h1-13,21H,14-15H2
InChIKey XTIAYBHFKIOSKS-UHFFFAOYSA-N
Molecular Weight 492.325 g/mol
SMILES C=1C=CC(CC(N2C(C=3C=CC=CC3C2=O)=O)C(OCC(C=2C=CC(=CC2)Br)=O)=O)=CC1