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Bicyclo[2.2.2]oct-5-en-2-one, 1,3,4-trimethyl-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID MYZMdHIdy0
InChI InChI=1S/C11H16O/c1-8-9(12)11(3)6-4-10(8,2)5-7-11/h4,6,8H,5,7H2,1-3H3/t8-,10-,11+/m0/s1
InChIKey QZCDTVNFLPRENC-INTQDDNPSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LhdbM1f2C6
Name Bicyclo[2.2.2]oct-5-en-2-one, 1,3,4-trimethyl-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
CAS Registry Number 124016-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-8-9(12)11(3)6-4-10(8,2)5-7-11/h4,6,8H,5,7H2,1-3H3/t8-,10-,11+/m0/s1
InChIKey QZCDTVNFLPRENC-INTQDDNPSA-N
Molecular Weight 164.248 g/mol
SMILES C1([C@@]2(C=C[C@]([C@]1(C)[H])(CC2)C)C)=O
SPLASH splash10-0a4l-7900000000-c34fecb86f0cd6410c68
Source of Spectrum H-72-585-9
Synonyms (1RS,3RS,4SR)-1,3,4-trimethylbicyclo[2.2.2]oct-5-ene-2-one (1S,3R,4R)-1,3,4-trimethylbicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1160899