piperazinium, 1-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(methoxycarbonyl)-3-thienyl]sulfonyl]-, chloride

SpectraBase Compound ID	1O2KMKG2Geo
InChI	InChI=1S/C18H20N2O6S2.ClH/c1-24-18(21)17-16(4-9-27-17)28(22,23)20-7-5-19(6-8-20)11-13-2-3-14-15(10-13)26-12-25-14;/h2-4,9-10H,5-8,11-12H2,1H3;1H
InChIKey	JTSRWVDJGXCCJV-UHFFFAOYSA-N Google Search
Mol Weight	460.95 g/mol
Molecular Formula	C18H21ClN2O6S2
Exact Mass	460.052956 g/mol

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SpectraBase Spectrum ID	5wpjE83jSu1
Name	piperazinium, 1-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(methoxycarbonyl)-3-thienyl]sulfonyl]-, 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/C18H20N2O6S2.ClH/c1-24-18(21)17-16(4-9-27-17)28(22,23)20-7-5-19(6-8-20)11-13-2-3-14-15(10-13)26-12-25-14;/h2-4,9-10H,5-8,11-12H2,1H3;1H
InChIKey	JTSRWVDJGXCCJV-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_3468
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: NMR/17211031; Labnumber: VGU3895