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Cyclohexanol acetate <cis-2-tert-butyl->
SpectraBase Compound ID 2lYFxZitIuf
InChI InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+/m0/s1
InChIKey FINOAUDUYKVGDS-WDEREUQCSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZ3kADFMoTk
Name Cyclohexanol acetate
CAS Registry Number 20298-69-5
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+/m0/s1
InChIKey FINOAUDUYKVGDS-WDEREUQCSA-N
Molecular Weight 198.306 g/mol
Number of Peaks 50
RI1 1293
SMILES C(=O)(O[C@]1([C@@](C(C)(C)C)(CCCC1)[H])[H])C
SPLASH splash10-0536-9000000000-8879c06231eb7817135a
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, 2-(1,1-dimethylethyl)-, 1-acetate
Wiley ID LM_FFNSC3_2693
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