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1-(5-bromo-2-methoxybenzyl)-4-(1H-indol-3-ylmethyl)piperazinediium

View entire compound with spectra: 1 NMR

1-(5-bromo-2-methoxybenzyl)-4-(1H-indol-3-ylmethyl)piperazinediium
SpectraBase Compound ID Gy4ULyqD0pR
InChI InChI=1S/C21H24BrN3O/c1-26-21-7-6-18(22)12-16(21)14-24-8-10-25(11-9-24)15-17-13-23-20-5-3-2-4-19(17)20/h2-7,12-13,23H,8-11,14-15H2,1H3/p+2
InChIKey GYKXPGJPYKFFTF-UHFFFAOYSA-P
Mol Weight 416.36 g/mol
Molecular Formula C21H26BrN3O
Exact Mass 415.125925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9XVWTGQSxm7
Name 1-(5-bromo-2-methoxybenzyl)-4-(1H-indol-3-ylmethyl)piperazinediium
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/C21H24BrN3O/c1-26-21-7-6-18(22)12-16(21)14-24-8-10-25(11-9-24)15-17-13-23-20-5-3-2-4-19(17)20/h2-7,12-13,23H,8-11,14-15H2,1H3/p+2
InChIKey GYKXPGJPYKFFTF-UHFFFAOYSA-P
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13893
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: UZI/9318088; UBI_ID: UBI-013896
Temperature 308 °C