For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AUKzZoTLwCW
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