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7-Oxabicyclo[4.1.0]heptan-2-one, 1,5,5-trimethyl-6-(3-oxo-1-butenyl)-, (Z)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

7-Oxabicyclo[4.1.0]heptan-2-one, 1,5,5-trimethyl-6-(3-oxo-1-butenyl)-, (Z)-
SpectraBase Compound ID Cz6HXLTq0Es
InChI InChI=1S/C13H18O3/c1-9(14)5-8-13-11(2,3)7-6-10(15)12(13,4)16-13/h5,8H,6-7H2,1-4H3/b8-5-
InChIKey SOCQQEYFJXZQPT-YVMONPNESA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4bcSeWHSD1
Name 4-(2,6,6-Trimethyl-1-cyclohexan-4-one-1,2-epoxide)-3-Z-buten-2-one minor conformer
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)5-8-13-11(2,3)7-6-10(15)12(13,4)16-13/h5,8H,6-7H2,1-4H3/b8-5-
InChIKey SOCQQEYFJXZQPT-YVMONPNESA-N
Instrument Name Bruker HX-90
Literature Reference K. Muellen, E. Kotzamani, Tetrahedron 39, 3821 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3