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(1S*,2R*)-2-((2-(2-Methylprop-1-en-1-yl)phenyl)ethynyl)cyclohexanol
SpectraBase Compound ID GiKAP0efLUq
InChI InChI=1S/C18H22O/c1-14(2)13-17-9-4-3-7-15(17)11-12-16-8-5-6-10-18(16)19/h3-4,7,9,13,16,18-19H,5-6,8,10H2,1-2H3/t16-,18+/m1/s1
InChIKey NFFQZTQIZOPVGD-AEFFLSMTSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uWUOQq4lE
Name (1S*,2R*)-2-((2-(2-Methylprop-1-en-1-yl)phenyl)ethynyl)cyclohexanol
Appearance Colorless oil
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Exact Mass 254.167065327 u
Formula C18H22O
GC Column HP-5MS
InChI InChI=1S/C18H22O/c1-14(2)13-17-9-4-3-7-15(17)11-12-16-8-5-6-10-18(16)19/h3-4,7,9,13,16,18-19H,5-6,8,10H2,1-2H3/t16-,18+/m1/s1
InChIKey NFFQZTQIZOPVGD-AEFFLSMTSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405789
Molecular Weight 254.373 g/mol
Quality 44
SMILES O[C@@]1([C@@](C#CC2=C(C=C(C)C)C=CC=C2)(CCCC1)[H])[H]
SPLASH splash10-05g0-0490000000-b7fb243fc92da1d55902
Source of Spectrum QE-21-SM13-14e (DOI: 10.1002/chem.201405789)
Thin-Layer Chromatography 0.32 (hexane/EtOAc, 4:1)
Wiley ID 1907679