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Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl
SpectraBase Compound ID 52lr65eZV3N
InChI InChI=1S/C11H22O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKey OOPHUQPRWUXYDI-UHFFFAOYSA-N
Mol Weight 170.3 g/mol
Molecular Formula C11H22O
Exact Mass 170.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KY1vrfMERmR
Name 2-tert-Butyl-4-methylcyclohexanol isomer I
CAS Registry Number 67634-11-1
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 170.167065327 u
Formula C11H22O
InChI InChI=1S/C11H22O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKey OOPHUQPRWUXYDI-UHFFFAOYSA-N
Molecular Weight 170.296 g/mol
Number of Peaks 50
RI1 1225
RI2 903
RI3 1158
RI4 1113
RI5 1204
SMILES OC1C(C(C)(C)C)CC(CC1)C
SPLASH splash10-0a5a-9000000000-7589d5c15895c507fcf1
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)-4-methyl
Wiley ID LM_FFNSC3_3266