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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 JWY2qTTp5Ae
Name (E)-4-(2,2,6-trimethylcyclohexyl)-3-buten-2-one
Alternate Name(s) Dihydroionone (E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
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 194.318 g/mol
SMILES C1(\C=C\C(=O)C)C(CCCC1C)(C)C
SPLASH splash10-052b-8900000000-75f58540c9d5122a9356
Source of Spectrum K-126-2268-5
Wiley ID 1191521