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2-[2-(3-nitrophenyl)-2-oxoethyl]isoquinolinium bromide
SpectraBase Compound ID 9kjpWtpR3jb
InChI InChI=1S/C17H13N2O3.BrH/c20-17(14-6-3-7-16(10-14)19(21)22)12-18-9-8-13-4-1-2-5-15(13)11-18;/h1-11H,12H2;1H/q+1;/p-1
InChIKey WRUYLJWREYOPFQ-UHFFFAOYSA-M
Mol Weight 373.21 g/mol
Molecular Formula C17H13BrN2O3
Exact Mass 372.010955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KgWF0wWmyFl
Name 2-[2-(3-nitrophenyl)-2-oxoethyl]isoquinolinium 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/C17H13N2O3.BrH/c20-17(14-6-3-7-16(10-14)19(21)22)12-18-9-8-13-4-1-2-5-15(13)11-18;/h1-11H,12H2;1H/q+1;/p-1
InChIKey WRUYLJWREYOPFQ-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9291
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: N20217; Labnumber: UD5-237; VK_ID: VK-009295
Temperature 318 °C