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1-[2-(4-chlorophenyl)-2-oxoethyl]-4-{[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}pyridinium bromide
SpectraBase Compound ID IjL5V9kHABq
InChI InChI=1S/C21H18ClN3O4.BrH/c1-3-29-21(28)18-13(2)23-24-19(18)20(27)15-8-10-25(11-9-15)12-17(26)14-4-6-16(22)7-5-14;/h4-11H,3,12H2,1-2H3;1H
InChIKey OTZVEZCTSXHLAL-UHFFFAOYSA-N
Mol Weight 492.76 g/mol
Molecular Formula C21H19BrClN3O4
Exact Mass 491.024747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I1jgccnkEoC
Name 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-{[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}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/C21H18ClN3O4.BrH/c1-3-29-21(28)18-13(2)23-24-19(18)20(27)15-8-10-25(11-9-15)12-17(26)14-4-6-16(22)7-5-14;/h4-11H,3,12H2,1-2H3;1H
InChIKey OTZVEZCTSXHLAL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16565
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: 987/00004063; Labnumber: 987/00004063218849; VK_ID: VK-016570
Temperature 318 °C