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Homomethyl acetate isomer II
SpectraBase Compound ID yQuXteiFfa
InChI InChI=1S/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3
InChIKey OIVWFAFCHQDCCG-UHFFFAOYSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JONChU3CBZt
Name Homomethyl acetate isomer II
CAS Registry Number 67859-96-5
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 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3
InChIKey OIVWFAFCHQDCCG-UHFFFAOYSA-N
Molecular Weight 184.279 g/mol
Number of Peaks 50
RI1 1187
RI2 865
RI3 855
RI4 810
RI5 1173
SMILES C(C)(=O)OC1CC(CC(C1)C)(C)C
SPLASH splash10-0apl-9400000000-d22a11fbbf90fa4ca3bf
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 Cyclohexanol, 3,3,5-trimethyl-, 1-acetate
Wiley ID LM_FFNSC3_3233