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2-[2-(4-methylphenyl)-2-oxoethyl]isoquinolinium bromide
SpectraBase Compound ID CfN3DVSvU0U
InChI InChI=1S/C18H16NO.BrH/c1-14-6-8-16(9-7-14)18(20)13-19-11-10-15-4-2-3-5-17(15)12-19;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey MRHSNFCWTREBKB-UHFFFAOYSA-M
Mol Weight 342.24 g/mol
Molecular Formula C18H16BrNO
Exact Mass 341.041527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IVh1a7Q2PUG
Name 2-[2-(4-methylphenyl)-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/C18H16NO.BrH/c1-14-6-8-16(9-7-14)18(20)13-19-11-10-15-4-2-3-5-17(15)12-19;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey MRHSNFCWTREBKB-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9294
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: N20237; Labnumber: UD5-271; VK_ID: VK-009298
Temperature 318 °C