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2-Tert-butylcyclohexyl acetate
SpectraBase Compound ID 2PewsaZn0L5
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
InChIKey FINOAUDUYKVGDS-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 AIzBEgf0fV1
Name Verdox
Source of Sample SAFC Cat.no. W524018
CAS Registry Number 88-41-5
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 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
InChIKey FINOAUDUYKVGDS-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
Number of Peaks 50
RI1 1291
RI2 969
RI3 971
RI4 928
SMILES C1CCC(C(C1)OC(=O)C)C(C)(C)C
SPLASH splash10-053u-9000000000-907bd9da727650276449
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)-, acetate
Wiley ID LM_FFNSC3_791