For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)-1-piperazinyl]methyl}-1-phenyl-1H-indole-3-carboxylate
SpectraBase Compound ID 3qjgOHu685P
InChI InChI=1S/C26H27BrN4O4/c1-3-34-26(33)25-20-15-24(35-18(2)32)21(27)16-22(20)31(19-7-5-4-6-8-19)23(25)17-30-13-11-29(10-9-28)12-14-30/h4-8,15-16H,3,10-14,17H2,1-2H3
InChIKey MVGXFVITUMDGKC-UHFFFAOYSA-N
Mol Weight 539.43 g/mol
Molecular Formula C26H27BrN4O4
Exact Mass 538.121568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GabAqIungUL
Name ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)-1-piperazinyl]methyl}-1-phenyl-1H-indole-3-carboxylate
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/C26H27BrN4O4/c1-3-34-26(33)25-20-15-24(35-18(2)32)21(27)16-22(20)31(19-7-5-4-6-8-19)23(25)17-30-13-11-29(10-9-28)12-14-30/h4-8,15-16H,3,10-14,17H2,1-2H3
InChIKey MVGXFVITUMDGKC-UHFFFAOYSA-N
NMR Offset 17.0164
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3165
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: NMR/9290849; Labnumber: JMR-0001829