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3-(tert-butyl)-2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-4-(3-nitrophenyl)thiazol-3-ium bromide

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3-(tert-butyl)-2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-4-(3-nitrophenyl)thiazol-3-ium bromide
SpectraBase Compound ID 1DSmWu8E9SP
InChI InChI=1S/C24H25N5O3S.BrH/c1-16-21(22(30)28(26(16)5)18-11-7-6-8-12-18)25-23-27(24(2,3)4)20(15-33-23)17-10-9-13-19(14-17)29(31)32;/h6-15H,1-5H3;1H/b25-23-;
InChIKey MWJSJYCBPXEODR-ADYMNVQMSA-N
Mol Weight 544.47 g/mol
Molecular Formula C24H26BrN5O3S
Exact Mass 543.093974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6cWmD05Kng8
Name 3-(tert-butyl)-2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-4-(3-nitrophenyl)thiazol-3-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/C24H25N5O3S.BrH/c1-16-21(22(30)28(26(16)5)18-11-7-6-8-12-18)25-23-27(24(2,3)4)20(15-33-23)17-10-9-13-19(14-17)29(31)32;/h6-15H,1-5H3;1H/b25-23-;
InChIKey MWJSJYCBPXEODR-ADYMNVQMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5965
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: 121875; Labnumber: EX00112313; VK_ID: VK-005968
Temperature 308 °C