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trans-2-Prop-2-ynyl-1-propa-1,2-dienylcyclohexanol
SpectraBase Compound ID K4OJp8PIGcb
InChI InChI=1S/C12H16O/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h1,9,11,13H,2,5-8,10H2/t11-,12+/m0/s1
InChIKey WCRISMUSJOTTDI-NWDGAFQWSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8RlClUcYW4
Name trans-2-Prop-2-ynyl-1-propa-1,2-dienylcyclohexanol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h1,9,11,13H,2,5-8,10H2/t11-,12+/m0/s1
InChIKey WCRISMUSJOTTDI-NWDGAFQWSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 176.259 g/mol
Quality 341
Reported Formula C12H16O
SMILES O[C@@]1(CCCC[C@@]1(CC#C)[H])C=C=C
SPLASH splash10-0arc-9500000000-1997a236e4e2d8cabe94
Source of Spectrum QE-21-SM6-S4g (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.42 (PE/EtOAc, 80:20)
Wiley ID 1906826