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

*Links on SpectraBase are not permalinks.
4-Amino-1-(4-(benzyl(tert-butoxycarbonyl)amino)butyl)-7-chloroquinolinium bromide
SpectraBase Compound ID PsRWRxjm34
InChI InChI=1S/C25H30ClN3O2.BrH/c1-25(2,3)31-24(30)29(18-19-9-5-4-6-10-19)15-8-7-14-28-16-13-22(27)21-12-11-20(26)17-23(21)28;/h4-6,9-13,16-17,27H,7-8,14-15,18H2,1-3H3;1H
InChIKey RYVOTRJINRWTEP-UHFFFAOYSA-N
Mol Weight 520.899 g/mol
Molecular Formula C25H31BrClN3O2
Exact Mass 519.128818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BvgI2wkT3eQ
Name 4-Amino-1-(4-(benzyl(tert-butoxycarbonyl)amino)butyl)-7-chloroquinolinium bromide
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31BrClN3O2
InChI InChI=1S/C25H30ClN3O2.BrH/c1-25(2,3)31-24(30)29(18-19-9-5-4-6-10-19)15-8-7-14-28-16-13-22(27)21-12-11-20(26)17-23(21)28;/h4-6,9-13,16-17,27H,7-8,14-15,18H2,1-3H3;1H
InChIKey RYVOTRJINRWTEP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Molecular Weight 520.899 g/mol
SMILES Nc1cc[n+](c2c1ccc(c2)Cl)CCCCN(C(=O)OC(C)(C)C)Cc1ccccc1.[Br-]
SPLASH splash10-004l-4900000000-13d6c771cb1277a8a84c
Source of Spectrum WO2012041493A1
Wiley ID 1845350