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3-Methylcyclohexanol
SpectraBase Compound ID IEBezEzMYrT
InChI InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKey HTSABYAWKQAHBT-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0EPlyYyOtu
Name Cyclohexan-1-ol <3-methyl->
CAS Registry Number 591-23-1
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 114.104465070 u
Formula C7H14O
InChI InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKey HTSABYAWKQAHBT-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
Number of Peaks 50
RI1 945
RI2 621
SMILES OC1CC(C)CCC1
SPLASH splash10-059x-9000000000-51a9371336707059168f
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, 3-methyl-
Wiley ID LM_FFNSC3_1902