[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 Google Search
Mol Weight	136.15 g/mol
Molecular Formula	C8H8O2
Exact Mass	136.052429 g/mol

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SpectraBase Spectrum ID	2U24lVVnlhS
Name	Cyclohepta-1,3,5-triene-7-carboxylic acid
CAS Registry Number	4440-40-8
Comments	SOLVENT IS CHLOROETHANE/DEUTEROMETHYLENECHLORIDE (4/1) FAST CONVERSION BETWEEN THE CYCLOHEPTATRIENE COMPOUND AND EXO-CARBOXYL-NORCARADIENE
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