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.beta.-(E)-Ionol acetate
SpectraBase Compound ID 8DU6VkgHQU6
InChI InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+
InChIKey WODKSVNXBYBTQC-CMDGGOBGSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiouJ5vsrAV
Name Ionol acetate
CAS Registry Number 22030-19-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+
InChIKey WODKSVNXBYBTQC-CMDGGOBGSA-N
Molecular Weight 236.355 g/mol
Number of Peaks 50
RI1 1529
RI2 1205
RI3 1251
RI4 1210
SMILES C1CC(=C(C(C1)(C)C)\C=C\C(OC(C)=O)C)C
SPLASH splash10-01ox-5900000000-216841bd7f964ef396e7
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate
Wiley ID LM_FFNSC3_1365