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Benzenaminium, 3-[[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-methylphenyl]azo]-N,N,N-trimethyl-, chloride

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Benzenaminium, 3-[[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-methylphenyl]azo]-N,N,N-trimethyl-, chloride
SpectraBase Compound ID KA4vpDadbkk
InChI InChI=1S/C26H27N7O.ClH/c1-18-16-21(14-15-24(18)29-27-20-10-9-13-23(17-20)33(3,4)5)28-30-25-19(2)31-32(26(25)34)22-11-7-6-8-12-22;/h6-17H,1-5H3;1H
InChIKey PSHMLHTWTWADCC-UHFFFAOYSA-N
Mol Weight 490.01 g/mol
Molecular Formula C26H28ClN7O
Exact Mass 489.204386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8OJ3eXenbHB
Name 3-((E)-{4-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2-methylphenyl}diazenyl)-N,N,N-trimethylbenzenaminium chloride
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/C26H27N7O.ClH/c1-18-16-21(14-15-24(18)29-27-20-10-9-13-23(17-20)33(3,4)5)28-30-25-19(2)31-32(26(25)34)22-11-7-6-8-12-22;/h6-17H,1-5H3;1H
InChIKey PSHMLHTWTWADCC-UHFFFAOYSA-N
NMR Offset 18.2243
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15270
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: 987/00001649; Labnumber: 987/00001649218819; VK_ID: VK-015275
Synonyms 3-({4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2-methylphenyl}diazenyl)-N,N,N-trimethylbenzenaminium chloride
Temperature 308 °C