1H-indole-3-carboxylic acid, 6-bromo-5-methoxy-2-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-1-phenyl-, ethyl ester

SpectraBase Compound ID	JSEetDPpA5U
InChI	InChI=1S/C30H32BrN3O3/c1-4-37-30(35)29-24-18-28(36-3)25(31)19-26(24)34(23-8-6-5-7-9-23)27(29)20-32-14-16-33(17-15-32)22-12-10-21(2)11-13-22/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKey	XHLCWXZFVKHZJM-UHFFFAOYSA-N Google Search
Mol Weight	562.5 g/mol
Molecular Formula	C30H32BrN3O3
Exact Mass	561.162705 g/mol

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SpectraBase Spectrum ID	ArYVQQyheCo
Name	1H-indole-3-carboxylic acid, 6-bromo-5-methoxy-2-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-1-phenyl-, ethyl 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/C30H32BrN3O3/c1-4-37-30(35)29-24-18-28(36-3)25(31)19-26(24)34(23-8-6-5-7-9-23)27(29)20-32-14-16-33(17-15-32)22-12-10-21(2)11-13-22/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKey	XHLCWXZFVKHZJM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_3789
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/11311334; Labnumber: JMR-0002038