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4-Acylium-protonated benzoic acid, dication
SpectraBase Compound ID 5ApwUSIhQzZ
InChI InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H/q+2
InChIKey BBSQEAWBRVETPK-UHFFFAOYSA-N
Mol Weight 150.13 g/mol
Molecular Formula C8H6O3
Exact Mass 150.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhnkPMdwM0w
Name 4-Acylium-protonated benzoic acid, dication
CAS Registry Number 41868-80-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H10O3
InChI InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H/q+2
InChIKey BBSQEAWBRVETPK-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference G.A. Olah, P.W. Westerman, J. Am. Chem. Soc. 95, 3706 (1973).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent FSO3H/SBF5