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[8-13C]-CYCLOHEPTA-2,4,6-TRIENECARBOXYLIC-ACID
SpectraBase Compound ID CIFRDEW7Mdl
InChI InChI=1S/C8H8O2/c9-8(10)7-5-3-1-2-4-6-7/h1-7H,(H,9,10)
InChIKey MMJMJYGSJNZKBB-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DTh0kyWcQV
Name Cyclohepta-1,3,5-triene-7-carboxylic acid
CAS Registry Number 4440-40-8
Comments SOLVENT IS CHLOROETHANE/DEUTEROMETHYLENECHLORIDE (4/1) CARBOXYLIC GROUP IN EQ-POSITION, CONVERSION TO NORCARADIENE COMPOUND NO MORE POSSIBLE DUE TO LOW TEMPERATURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c9-8(10)7-5-3-1-2-4-6-7/h1-7H,(H,9,10)
InChIKey MMJMJYGSJNZKBB-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference R. Wehner, H. Guenther, J. Am. Chem. Soc. 97, 923 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany