1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3-(2-chlorophenyl)-2-propenoyl]piperazin-1-ium

SpectraBase Compound ID	KsiNSV9asac
InChI	InChI=1S/C21H21ClN2O3/c22-18-4-2-1-3-17(18)6-8-21(25)24-11-9-23(10-12-24)14-16-5-7-19-20(13-16)27-15-26-19/h1-8,13H,9-12,14-15H2/p+1/b8-6+
InChIKey	NYAFUNLQYDWRAV-SOFGYWHQSA-O Google Search
Mol Weight	385.87 g/mol
Molecular Formula	C21H22ClN2O3
Exact Mass	385.131895 g/mol

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SpectraBase Spectrum ID	5krD26tGkTp
Name	1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3-(2-chlorophenyl)-2-propenoyl]piperazin-1-ium
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/C21H21ClN2O3/c22-18-4-2-1-3-17(18)6-8-21(25)24-11-9-23(10-12-24)14-16-5-7-19-20(13-16)27-15-26-19/h1-8,13H,9-12,14-15H2/p+1/b8-6+
InChIKey	NYAFUNLQYDWRAV-SOFGYWHQSA-O
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5166
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: 114858; Labnumber: SERK1-22004; VK_ID: VK-005169
Synonyms	1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-chlorophenyl)-2-propenoyl]piperazin-1-ium
Temperature	308 °C