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2-(allylthio)-6-(4-methoxyphenyl)-4-phenyl-3,4,5,6-tetrahydropyrimidin-1-ium-5-ylium) bromide

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2-(allylthio)-6-(4-methoxyphenyl)-4-phenyl-3,4,5,6-tetrahydropyrimidin-1-ium-5-ylium) bromide
SpectraBase Compound ID 8B0TpBqC1TG
InChI InChI=1S/C20H21N2OS.BrH/c1-3-13-24-20-21-18(15-7-5-4-6-8-15)14-19(22-20)16-9-11-17(23-2)12-10-16;/h3-12,14,18-19H,1,13H2,2H3,(H,21,22);1H/q+1;
InChIKey YSBZCEJOAYVVNZ-UHFFFAOYSA-N
Mol Weight 418.37 g/mol
Molecular Formula C20H22BrN2OS
Exact Mass 417.063623 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 97VFkgNlPtP
Name 2-(allylthio)-6-(4-methoxyphenyl)-4-phenyl-3,4,5,6-tetrahydropyrimidin-1-ium-5-ylium) 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/C20H21N2OS.BrH/c1-3-13-24-20-21-18(15-7-5-4-6-8-15)14-19(22-20)16-9-11-17(23-2)12-10-16;/h3-12,14,18-19H,1,13H2,2H3,(H,21,22);1H/q+1;
InChIKey YSBZCEJOAYVVNZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_960
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/9213688; Labnumber: AI-S000315
Temperature 303 °C