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

SpectraBase Compound ID	GQbm7ZRv0VX
InChI	InChI=1S/C28H22BrNO7/c1-2-3-14-36-27(34)18-6-11-21(12-7-18)30-25(32)22-13-8-19(15-23(22)26(30)33)28(35)37-16-24(31)17-4-9-20(29)10-5-17/h4-13,15H,2-3,14,16H2,1H3
InChIKey	GDGLDFFRTUKEJJ-UHFFFAOYSA-N Google Search
Mol Weight	564.39 g/mol
Molecular Formula	C28H22BrNO7
Exact Mass	563.057965 g/mol

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SpectraBase Spectrum ID	Kv33JalIpBL
Name	1H-isoindole-5-carboxylic acid, 2-[4-(butoxycarbonyl)phenyl]-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H22BrNO7/c1-2-3-14-36-27(34)18-6-11-21(12-7-18)30-25(32)22-13-8-19(15-23(22)26(30)33)28(35)37-16-24(31)17-4-9-20(29)10-5-17/h4-13,15H,2-3,14,16H2,1H3
InChIKey	GDGLDFFRTUKEJJ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_613
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11258599