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1,4-bis[2-(2,4-dichlorophenyl)-2-oxoethyl]-4H-1,2,4-triazol-1-ium bromide
SpectraBase Compound ID 1ygjOtm7Lbl
InChI InChI=1S/C18H12Cl4N3O2.BrH/c19-11-1-3-13(15(21)5-11)17(26)7-24-9-23-25(10-24)8-18(27)14-4-2-12(20)6-16(14)22;/h1-6,9-10H,7-8H2;1H/q+1;/p-1
InChIKey MQRQGCWRCYFMEL-UHFFFAOYSA-M
Mol Weight 524.0 g/mol
Molecular Formula C18H12BrCl4N3O2
Exact Mass 520.8867 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BjlW8n2Mygm
Name 1,4-bis[2-(2,4-dichlorophenyl)-2-oxoethyl]-4H-1,2,4-triazol-1-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/C18H12Cl4N3O2.BrH/c19-11-1-3-13(15(21)5-11)17(26)7-24-9-23-25(10-24)8-18(27)14-4-2-12(20)6-16(14)22;/h1-6,9-10H,7-8H2;1H/q+1;/p-1
InChIKey MQRQGCWRCYFMEL-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9086
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: H05682; Labnumber: MK1-053; VK_ID: VK-009090
Temperature 308 °C