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3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

View entire compound with spectra: 6 NMR, 4 FTIR, and 9 MS (GC)

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CWb9tc3vQlC
Name alpha-ISO-METHYLIONONE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 130-131C/13 MBAR
CAS Registry Number 127-51-5
Compound Type Pure
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Density 0.9345 (20/4C)
FEMA Number 2714
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 206.33
Optical Properties Index of Refraction= 1.5019 (20C)
Sample Description REMINISCENT OF ORRIS AND VIOLETS
Synonyms 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-METHYL-3-BUTEN-2-ONE 3-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE RALDEINE gamma IRALDEINE gamma alpha-ISOMETHYLIONONE METHYL-gamma-LONONE (SO CALLED)
Technique CAPILLARY CELL: NEAT