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trans-(3-Phenylbuta-1,2-dienyl)-2-prop-2-ynylcyclohexanol
SpectraBase Compound ID 4kp9LsyAoBQ
InChI InChI=1S/C19H22O/c1-3-9-18-12-7-8-14-19(18,20)15-13-16(2)17-10-5-4-6-11-17/h1,4-6,10-11,15,18,20H,7-9,12,14H2,2H3/t13?,18-,19-/m0/s1
InChIKey JFRYUGBXIQIOQB-XQGIULPISA-N
Mol Weight 266.38 g/mol
Molecular Formula C19H22O
Exact Mass 266.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LzqxHlVWC
Name trans-(3-Phenylbuta-1,2-dienyl)-2-prop-2-ynylcyclohexanol
Appearance Pale yellow oil
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Exact Mass 266.167065327 u
Formula C19H22O
InChI InChI=1S/C19H22O/c1-3-9-18-12-7-8-14-19(18,20)15-13-16(2)17-10-5-4-6-11-17/h1,4-6,10-11,15,18,20H,7-9,12,14H2,2H3/t13?,18-,19-/m0/s1
InChIKey JFRYUGBXIQIOQB-XQGIULPISA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 266.384 g/mol
Quality 337
Reported Formula C19H22O
SMILES O[C@@]1(CCCC[C@@]1(CC#C)[H])C(=[C@]=C(C1=CC=CC=C1)C)[H]
SPLASH splash10-05o4-1490000000-d630602a94f426db5525
Sample Comments dr = 1.6:1
Source of Spectrum QE-21-SM9-S4d (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.28 (PE/EtOAc, 90:10)
Wiley ID 1906823