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2-[2-(3-methoxyphenyl)-2-oxoethyl]isoquinolinium bromide

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2-[2-(3-methoxyphenyl)-2-oxoethyl]isoquinolinium bromide
SpectraBase Compound ID 8u3ckCW6WvE
InChI InChI=1S/C18H16NO2.BrH/c1-21-17-8-4-7-15(11-17)18(20)13-19-10-9-14-5-2-3-6-16(14)12-19;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey GSLMHWQKPBGERR-UHFFFAOYSA-M
Mol Weight 358.23 g/mol
Molecular Formula C18H16BrNO2
Exact Mass 357.036442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 88WslZpSw44
Name 2-[2-(3-methoxyphenyl)-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/C18H16NO2.BrH/c1-21-17-8-4-7-15(11-17)18(20)13-19-10-9-14-5-2-3-6-16(14)12-19;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey GSLMHWQKPBGERR-UHFFFAOYSA-M
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16122
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: 987/00003229; Labnumber: 987/00003229218839; VK_ID: VK-016127
Temperature 308 °C