1-[(2E)-4-ethoxy-4-oxo-2-butenyl]-2-[(phenylsulfonyl)methyl]pyridinium bromide

SpectraBase Compound ID	l5KRilXLUK
InChI	InChI=1S/C18H20NO4S.BrH/c1-2-23-18(20)12-8-14-19-13-7-6-9-16(19)15-24(21,22)17-10-4-3-5-11-17;/h3-13H,2,14-15H2,1H3;1H/q+1;/p-1/b12-8+;
InChIKey	QVJBEGDBMHUXFI-MXZHIVQLSA-M Google Search
Mol Weight	426.33 g/mol
Molecular Formula	C18H20BrNO4S
Exact Mass	425.029642 g/mol

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SpectraBase Spectrum ID	JaLaZeET43t
Name	1-[(2E)-4-ethoxy-4-oxo-2-butenyl]-2-[(phenylsulfonyl)methyl]pyridinium bromide
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/C18H20NO4S.BrH/c1-2-23-18(20)12-8-14-19-13-7-6-9-16(19)15-24(21,22)17-10-4-3-5-11-17;/h3-13H,2,14-15H2,1H3;1H/q+1;/p-1/b12-8+;
InChIKey	QVJBEGDBMHUXFI-MXZHIVQLSA-M
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_17141
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: 987/00005001; Labnumber: 987/00005001218861; VK_ID: VK-017146
Synonyms	1-[4-ethoxy-4-oxo-2-butenyl]-2-[(phenylsulfonyl)methyl]pyridinium bromide
Temperature	308 °C