5-Acetoxy-6-bromo-2-[[4-(o-tolyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester

SpectraBase Compound ID	7dy0ejXrAvy
InChI	InChI=1S/C31H32BrN3O4/c1-4-38-31(37)30-24-18-29(39-22(3)36)25(32)19-27(24)35(23-11-6-5-7-12-23)28(30)20-33-14-16-34(17-15-33)26-13-9-8-10-21(26)2/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKey	QGZPYOVEQRXBTK-UHFFFAOYSA-N Google Search
Mol Weight	590.5 g/mol
Molecular Formula	C31H32BrN3O4
Exact Mass	589.15762 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	5vezzWqpiPd
Name	1H-indole-3-carboxylic acid, 5-(acetyloxy)-6-bromo-2-[[4-(2-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/C31H32BrN3O4/c1-4-38-31(37)30-24-18-29(39-22(3)36)25(32)19-27(24)35(23-11-6-5-7-12-23)28(30)20-33-14-16-34(17-15-33)26-13-9-8-10-21(26)2/h5-13,18-19H,4,14-17,20H2,1-3H3
InChIKey	QGZPYOVEQRXBTK-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_CB_8313_1644
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/9213707; Labnumber: JMR-0001587
Temperature	297 °C