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(m-Aminophenyl)trimethylammoniumchloride->m-toluidine->Acetoacetanilide
SpectraBase Compound ID 4NCIef8shJl
InChI InChI=1S/C26H28N6O2.ClH/c1-18-16-22(29-31-25(19(2)33)26(34)27-20-10-7-6-8-11-20)14-15-24(18)30-28-21-12-9-13-23(17-21)32(3,4)5;/h6-17H,1-5H3,(H-,27,28,29,33,34);1H
InChIKey QGTKCQGJBQLCTN-UHFFFAOYSA-N
Mol Weight 493.01 g/mol
Molecular Formula C26H29ClN6O2
Exact Mass 492.204052 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A4im7tdoWCJ
Name 3-[(E)-(4-{(E)-[(1Z)-1-(anilinocarbonyl)-2-hydroxy-1-propenyl]diazenyl}-2-methylphenyl)diazenyl]-N,N,N-trimethylbenzenaminium chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H28N6O2.ClH/c1-18-16-22(29-31-25(19(2)33)26(34)27-20-10-7-6-8-11-20)14-15-24(18)30-28-21-12-9-13-23(17-21)32(3,4)5;/h6-17H,1-5H3,(H-,27,28,29,33,34);1H
InChIKey QGTKCQGJBQLCTN-UHFFFAOYSA-N
NMR Offset 18.2243
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15271
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: 987/00001650; Labnumber: 987/00001650218819; VK_ID: VK-015276
Synonyms 3-[(4-{[1-(anilinocarbonyl)-2-hydroxy-1-propenyl]diazenyl}-2-methylphenyl)diazenyl]-N,N,N-trimethylbenzenaminium chloride
Temperature 308 °C