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1-[2-(4-chlorophenyl)-2-oxoethyl]-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridinium bromide
SpectraBase Compound ID 5gpTcxlAYIN
InChI InChI=1S/C18H16ClN4O.BrH/c19-15-5-3-13(4-6-15)16(24)12-22-10-7-14(8-11-22)18-21-20-17-2-1-9-23(17)18;/h3-8,10-11H,1-2,9,12H2;1H/q+1;/p-1
InChIKey DGUPDUIYEVFISE-UHFFFAOYSA-M
Mol Weight 419.71 g/mol
Molecular Formula C18H16BrClN4O
Exact Mass 418.019602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DdfgX0E33wf
Name 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridinium 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/C18H16ClN4O.BrH/c19-15-5-3-13(4-6-15)16(24)12-22-10-7-14(8-11-22)18-21-20-17-2-1-9-23(17)18;/h3-8,10-11H,1-2,9,12H2;1H/q+1;/p-1
InChIKey DGUPDUIYEVFISE-UHFFFAOYSA-M
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17483
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: 987/00005629; Labnumber: 987/00005629218869; VK_ID: VK-017488
Temperature 308 °C