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3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID 4esjO3ggk2D
InChI InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
InChIKey JRJBVWJSTHECJK-PKNBQFBNSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZGmqup9NL2
Name 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Alternate Name(s) 6-Methyl-.gamma.-ionone .gamma.-Ionone, methyl- (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one .gamma.-methylionone (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-one .alpha.-Cetone 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. .alpha.-Ionone, isomethyl- 4-(2,2-Dimethyl-6-methylenecyclohexyl)but-3-en-2-one, monomethyl derivative .alpha.-iso-Methyl ionone gamma-Methylionone 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one Methyl gamma-ionone 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one 8-Methyl-.alpha.-ionone Cetone alpha Iso-.alpha.-methyl ionone Isomethyl-.alpha.-ionone Methyl-.alpha.-isoionone EINECS 248-449-3 AI3-36074 EINECS 204-846-3 FEMA NO. 2714 NSC 66432
CAS Registry Number 27417-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
InChIKey JRJBVWJSTHECJK-PKNBQFBNSA-N
Molecular Weight 206.329 g/mol
SMILES C1(\C=C\(C(=O)C)C)C(=CCCC1(C)C)C
SPLASH splash10-0k9i-2900000000-52cb47c02cbb95aed4ff
Source of Spectrum UT-1990-610-0
Wiley ID 1205146