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3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
SpectraBase Compound ID xAno21X0AW
InChI InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+
InChIKey NSSHGPBKKVJJMM-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 JKmOQbVsymf
Name 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
Alternate Name(s) (3E)-3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one .beta.-iso-Methyl ionone .delta.-iraldeine 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-methyl-1-buten-3-one 3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-methyl-3-buten-2-one 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-methyl-3-buten-2-one delta-Iraldeine Isomethyl-.beta.-ionone EINECS 201-231-1 FEMA NO. 2713 NSC 66433
CAS Registry Number 79-89-0
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/h9H,6-8H2,1-5H3/b11-9+
InChIKey NSSHGPBKKVJJMM-PKNBQFBNSA-N
Molecular Weight 206.329 g/mol
SMILES C\C(=C/C=1C(C)(C)CCCC1C)C(C)=O
SPLASH splash10-0006-5900000000-71e3d29186155d00d735
Source of Spectrum UT-1990-840-0
Wiley ID 1205152