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Cyclohexanemethanol <alpha,3,3-trimethyl-> acetate
SpectraBase Compound ID 9SZYPflSDZM
InChI InChI=1S/C12H22O2/c1-9(14-10(2)13)11-6-5-7-12(3,4)8-11/h9,11H,5-8H2,1-4H3
InChIKey YWVSYRJWCROMKO-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JveXBQY1APc
Name Cyclohexanemethanol acetate
CAS Registry Number 25225-10-9
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 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-9(14-10(2)13)11-6-5-7-12(3,4)8-11/h9,11H,5-8H2,1-4H3
InChIKey YWVSYRJWCROMKO-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
Number of Peaks 50
RI1 1282
RI2 960
RI3 963
RI4 919
SMILES C1C(CC(CC1)C(OC(C)=O)C)(C)C
SPLASH splash10-00kf-9200000000-9c142809927e8d06a288
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 Cyclohexanemethanol, alpha,3,3-trimethyl-, acetate
Wiley ID LM_FFNSC3_1283