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Tetracyclo(4.2.0.0/2,4/.0/3,6/)octan-7-one
SpectraBase Compound ID E1joR5LtAN4
InChI InChI=1S/C8H8O/c9-3-1-2-4(3)6-7-5(2)8(6)7/h2,4-8H,1H2
InChIKey JVKUEKMNTFBGHC-UHFFFAOYSA-N
Mol Weight 120.15 g/mol
Molecular Formula C8H8O
Exact Mass 120.057515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2voOTnDwVK
Name Tetracyclo(4.2.0.0/2,4/.0/3,6/)octan-7-one
CAS Registry Number 54220-49-4
Comments C4 SYN, C3 ANTI
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8O
InChI InChI=1S/C8H8O/c9-3-1-2-4(3)6-7-5(2)8(6)7/h2,4-8H,1H2
InChIKey JVKUEKMNTFBGHC-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference L.R. Smith, G.E. Gream, J. Meinwald, J. Org. Chem. 42, 927 (1977).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3