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1-Ethynyl-2,2,6-trimethylcyclohexan-1-ol
SpectraBase Compound ID 7MU7qe9Fmlh
InChI InChI=1S/C11H18O/c1-5-11(12)9(2)7-6-8-10(11,3)4/h1,9,12H,6-8H2,2-4H3
InChIKey PQQOQXUYGRGYEK-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3m6gCsDOSub
Name 1-Ethynyl-2,2,6-trimethylcyclohexan-1-ol
Appearance Yellowish liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-5-11(12)9(2)7-6-8-10(11,3)4/h1,9,12H,6-8H2,2-4H3
InChIKey PQQOQXUYGRGYEK-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MS-QP2010S
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.687
Molecular Weight 166.264 g/mol
SMILES OC1(C(CCCC1(C)C)C)C#C
SPLASH splash10-053r-9300000000-f44e27bbd78c3e4f7686
Sample Comments dr = 2:1
Source of Spectrum ARK-2021-145-3
Thin-Layer Chromatography Rf = 0.50 (petroleum ether/Et2O, 90:10)
Wiley ID 1873096