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4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-[2-(4-methylphenyl)-2-oxoethyl]pyridinium bromide
SpectraBase Compound ID 5NaWpBNT4MA
InChI InChI=1S/C19H19N4O.BrH/c1-14-4-6-15(7-5-14)17(24)13-22-11-8-16(9-12-22)19-21-20-18-3-2-10-23(18)19;/h4-9,11-12H,2-3,10,13H2,1H3;1H/q+1;/p-1
InChIKey DIIRTCWMAPWVAP-UHFFFAOYSA-M
Mol Weight 399.29 g/mol
Molecular Formula C19H19BrN4O
Exact Mass 398.074224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 672SWlIt546
Name 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-[2-(4-methylphenyl)-2-oxoethyl]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/C19H19N4O.BrH/c1-14-4-6-15(7-5-14)17(24)13-22-11-8-16(9-12-22)19-21-20-18-3-2-10-23(18)19;/h4-9,11-12H,2-3,10,13H2,1H3;1H/q+1;/p-1
InChIKey DIIRTCWMAPWVAP-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6016
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: 121940; Labnumber: EX00112475; VK_ID: VK-006019
Temperature 308 °C