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4-{[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-oxo-2-phenylethyl)pyridinium bromide
SpectraBase Compound ID 1p2m4Qz7eas
InChI InChI=1S/C21H19N3O4.BrH/c1-3-28-21(27)18-14(2)22-23-19(18)20(26)16-9-11-24(12-10-16)13-17(25)15-7-5-4-6-8-15;/h4-12H,3,13H2,1-2H3;1H
InChIKey UJSURUKMTGKXLF-UHFFFAOYSA-N
Mol Weight 458.31 g/mol
Molecular Formula C21H20BrN3O4
Exact Mass 457.063719 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4NxogpY8PbX
Name 4-{[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-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/C21H19N3O4.BrH/c1-3-28-21(27)18-14(2)22-23-19(18)20(26)16-9-11-24(12-10-16)13-17(25)15-7-5-4-6-8-15;/h4-12H,3,13H2,1-2H3;1H
InChIKey UJSURUKMTGKXLF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16576
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: 987/00004077; Labnumber: 987/00004077218849; VK_ID: VK-016581
Temperature 318 °C