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2-(3-Isoquinolinyl)-benzoic acid, cation

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2-(3-Isoquinolinyl)-benzoic acid, cation
SpectraBase Compound ID HdMjtE0Kf8D
InChI InChI=1S/C16H11NO2/c18-16(19)14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-17-15/h1-10H,(H,18,19)/p+1
InChIKey LULPGLOYKYMNPP-UHFFFAOYSA-O
Mol Weight 250.28 g/mol
Molecular Formula C16H12NO2
Exact Mass 250.086804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxUbC59PwTW
Name 2-(3-Isoquinolinyl)-benzoic acid, cation
Comments ASSIGNMENT BY HWZ
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H12NO2
InChI InChI=1S/C16H11NO2/c18-16(19)14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-17-15/h1-10H,(H,18,19)/p+1
InChIKey LULPGLOYKYMNPP-UHFFFAOYSA-O
Instrument Name Bruker WM-250
Literature Reference J. Dusemund, E. Kroeger, Arch. Pharm. 317, 2 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6