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Tricyclo-[2.2.1.0(2,6)]-heptan-3-one

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Tricyclo-[2.2.1.0(2,6)]-heptan-3-one
SpectraBase Compound ID G5qEjFdGCWz
InChI InChI=1S/C7H8O/c8-7-3-1-4-5(2-3)6(4)7/h3-6H,1-2H2/t3-,4+,5-,6+
InChIKey ITDQUAQMICQLER-FBXFSONDSA-N
Mol Weight 108.14 g/mol
Molecular Formula C7H8O
Exact Mass 108.057515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5B9K5I7IuuJ
Name Tricyclo(2.2.1.0/3,5/)heptanone-2
CAS Registry Number 695-05-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H8O
InChI InChI=1S/C7H8O/c8-7-3-1-4-5(2-3)6(4)7/h3-6H,1-2H2/t3-,4+,5-,6+
InChIKey ITDQUAQMICQLER-FBXFSONDSA-N
Instrument Name Varian CFT-20
Literature Reference D.P. Kelly, H.C. Brown, J. Am. Chem. Soc. 97, 3897 (1975).
NMR Standard Benzene
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3