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

*Links on SpectraBase are not permalinks.
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
Mol Weight 426.33 g/mol
Molecular Formula C18H20BrNO4S
Exact Mass 425.029642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

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