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(E)-4-(2,2,6-trimethylcyclohexyl)-3-buten-2-one
SpectraBase Compound ID JOHSbzUjJqu
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,10,12H,5-6,9H2,1-4H3/b8-7+
InChIKey YJRODKCOICMRBO-BQYQJAHWSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EidnbLq4j9o
Name 3-BUTEN-2-ONE, 4-(2,5,5-TRIMETHYL-3,8-DIOXATRICYCLO[5.1.0.02,4]OCT-4-YL)-, [1alpha,2alpha,4alpha(E),7alpha]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,10,12H,5-6,9H2,1-4H3/b8-7+
InChIKey YJRODKCOICMRBO-BQYQJAHWSA-N
Molecular Weight 194.1665
SMILES C1C(C)(C)C(\C=C\C(C)=O)C(C)CC1
SPLASH splash10-0007-9500000000-6d27d1539f43e75fe1cf
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany