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1-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium bromide
SpectraBase Compound ID 3suoN0ZryyY
InChI InChI=1S/C21H20ClN2O4.BrH/c1-26-19-10-15(11-20(27-2)21(19)28-3)17-8-9-24(13-23-17)12-18(25)14-4-6-16(22)7-5-14;/h4-11,13H,12H2,1-3H3;1H/q+1;/p-1
InChIKey QRQXVNNGWYRYTR-UHFFFAOYSA-M
Mol Weight 479.76 g/mol
Molecular Formula C21H20BrClN2O4
Exact Mass 478.029498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTW8H7I4Wv
Name 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3,4,5-trimethoxyphenyl)pyrimidin-1-ium 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/C21H20ClN2O4.BrH/c1-26-19-10-15(11-20(27-2)21(19)28-3)17-8-9-24(13-23-17)12-18(25)14-4-6-16(22)7-5-14;/h4-11,13H,12H2,1-3H3;1H/q+1;/p-1
InChIKey QRQXVNNGWYRYTR-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16751
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: 987/00004332; Labnumber: 987/00004332218852; VK_ID: VK-016756
Temperature 318 °C