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3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
SpectraBase Compound ID 8ng3JtPkD41
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-LUAWRHEFSA-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 7osv27cf6LB
Name 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Alternate Name(s) (Z)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-one (Z)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- .alpha.-Cetone .alpha.-Ionone, isomethyl- .alpha.-iso-Methyl ionone 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one 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 AI3-36074 EINECS 204-846-3 FEMA NO. 2714 NSC 66432
CAS Registry Number 127-51-5
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-LUAWRHEFSA-N
Molecular Weight 206.329 g/mol
SMILES C1(C(CCC=C1C)(C)C)\C=C\(C)C(=O)C
SPLASH splash10-0k9f-5900000000-84269edd4850343ee516
Wiley ID 1478498