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5-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-5-ium bromide
SpectraBase Compound ID J6cVZCaCKgo
InChI InChI=1S/C14H12BrN4O.BrH/c1-18-13-6-7-19(8-12(13)16-17-18)9-14(20)10-2-4-11(15)5-3-10;/h2-8H,9H2,1H3;1H/q+1;/p-1
InChIKey RDDMIMAFHIHTEA-UHFFFAOYSA-M
Mol Weight 412.09 g/mol
Molecular Formula C14H12Br2N4O
Exact Mass 409.937787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ISiDw097yQp
Name 5-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-5-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/C14H12BrN4O.BrH/c1-18-13-6-7-19(8-12(13)16-17-18)9-14(20)10-2-4-11(15)5-3-10;/h2-8H,9H2,1H3;1H/q+1;/p-1
InChIKey RDDMIMAFHIHTEA-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15385
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: 987/00001862; Labnumber: 987/00001862218822; VK_ID: VK-015390
Temperature 318 °C