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2-Methylcyclohexanol
SpectraBase Compound ID KdR67sp7kOP
InChI InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKey NDVWOBYBJYUSMF-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 8f92FfdxJwT
Name Cyclohexanol, 2-methyl- (isomer I)
CAS Registry Number 583-59-5
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 114.104465070 u
Formula C7H14O
InChI InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKey NDVWOBYBJYUSMF-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
Number of Peaks 50
RI1 940
RI2 618
RI3 825
RI4 779
SMILES OC1C(C)CCCC1
SPLASH splash10-0apl-9000000000-c172ef6d7c588ba10a97
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 1-Methyl-2-cyclohexanol
Wiley ID LM_FFNSC3_1993