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iso-Methyl tetrahydroionyl acetate isomer III
SpectraBase Compound ID BAxPvB9iUoe
InChI InChI=1S/C16H30O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h11-13,15H,7-10H2,1-6H3
InChIKey URFHDVSDYWQMJU-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhPsAch37J0
Name iso-Methyl tetrahydroionyl acetate isomer III
CAS Registry Number 60241-55-6
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 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h11-13,15H,7-10H2,1-6H3
InChIKey URFHDVSDYWQMJU-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
Number of Peaks 50
RI1 1624
RI2 1303
RI3 1277
RI4 1236
RI5 1617
SMILES C(C)(=O)OC(C(CC1C(CCCC1(C)C)C)C)C
SPLASH splash10-0ac3-9500000000-304623c2bc1ddb284f6b
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 Cyclohexanepropanol, a,b,2,6,6-pentamethyl-, 1-acetate
Wiley ID LM_FFNSC3_3255