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4-tert-Butylcyclohexyl  acetate
SpectraBase Compound ID 72DCv4RaheL
InChI InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey MBZRJSQZCBXRGK-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 4Pcia4EW5yp
Name Cyclohexanol <4-tertbutyl-> acetate
Source of Sample SAFC Cat.no. 347736
CAS Registry Number 32210-23-4
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)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey MBZRJSQZCBXRGK-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
Number of Peaks 50
RI1 1368
RI2 1046
RI3 1078
RI4 1036
RI5 1356
SMILES C1C(CCC(C1)C(C)(C)C)OC(C)=O
SPLASH splash10-053u-9000000000-d1dc486dcacd6556b2ab
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, 4-(1,1-dimethylethyl)-, acetate
Wiley ID LM_FFNSC3_30