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.alpha.-Irone
SpectraBase Compound ID DKoOal1zHhj
InChI InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
InChIKey JZQOJFLIJNRDHK-CMDGGOBGSA-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 Jd4xE05qAqm
Name 6-Methyl-.alpha.-ionone
CAS Registry Number 79-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
InChIKey JZQOJFLIJNRDHK-CMDGGOBGSA-N
Molecular Weight 206.329 g/mol
SMILES C(\C=C\C1C(C)(C)C(C)CC=C1C)(C)=O
SPLASH splash10-006x-9800000000-a519c9b94d363bf12f9a
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Ionone<6-methyl-.alpha.->
Wiley ID 1887522