1-{2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]ethyl}piperidinium chloride

SpectraBase Compound ID	5si5x64d3WL
InChI	InChI=1S/C25H30N4O3.ClH/c1-31-22-12-10-19(18-23(22)32-2)11-13-24-26-25(20-8-4-5-9-21(20)30)29(27-24)17-16-28-14-6-3-7-15-28;/h4-5,8-13,18,30H,3,6-7,14-17H2,1-2H3;1H/b13-11+;
InChIKey	VSAOQMMMDXRPHE-BNSHTTSQSA-N Google Search
Mol Weight	471.0 g/mol
Molecular Formula	C25H31ClN4O3
Exact Mass	470.208469 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	DoAU1I2HVU1
Name	1-{2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]ethyl}piperidinium chloride
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/C25H30N4O3.ClH/c1-31-22-12-10-19(18-23(22)32-2)11-13-24-26-25(20-8-4-5-9-21(20)30)29(27-24)17-16-28-14-6-3-7-15-28;/h4-5,8-13,18,30H,3,6-7,14-17H2,1-2H3;1H/b13-11+;
InChIKey	VSAOQMMMDXRPHE-BNSHTTSQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_35708
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: E91799; SBI_ID: SBI-035712
Synonyms	1-{2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]ethyl}piperidinium chloride
Temperature	308 °C