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5-{2-[(4-methoxyphenyl)sulfanyl]ethyl}-2-methyl-1-(2-oxo-2-phenylethyl)pyridinium bromide
SpectraBase Compound ID Bxygzpw4yFW
InChI InChI=1S/C23H24NO2S.BrH/c1-18-8-9-19(14-15-27-22-12-10-21(26-2)11-13-22)16-24(18)17-23(25)20-6-4-3-5-7-20;/h3-13,16H,14-15,17H2,1-2H3;1H/q+1;/p-1
InChIKey OCSSMKUASVKQIN-UHFFFAOYSA-M
Mol Weight 458.41 g/mol
Molecular Formula C23H24BrNO2S
Exact Mass 457.071113 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HWQcAOMCl8W
Name 5-{2-[(4-methoxyphenyl)sulfanyl]ethyl}-2-methyl-1-(2-oxo-2-phenylethyl)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/C23H24NO2S.BrH/c1-18-8-9-19(14-15-27-22-12-10-21(26-2)11-13-22)16-24(18)17-23(25)20-6-4-3-5-7-20;/h3-13,16H,14-15,17H2,1-2H3;1H/q+1;/p-1
InChIKey OCSSMKUASVKQIN-UHFFFAOYSA-M
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19752
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: UZI/9149427; UBI_ID: UBI-019756
Temperature 313 °C