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trans-Buta-1,2-dienyl-2-prop-2-ynylcyclohexanol
SpectraBase Compound ID 5YF7myfVQAZ
InChI InChI=1S/C13H18O/c1-3-5-10-13(14)11-7-6-9-12(13)8-4-2/h2-3,10,12,14H,6-9,11H2,1H3/t5?,12-,13+/m0/s1
InChIKey IWPICIGBVXMVGF-OTWNXNTISA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQNx0ZI2woz
Name trans-Buta-1,2-dienyl-2-prop-2-ynylcyclohexanol
Appearance Colorless oil
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Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-3-5-10-13(14)11-7-6-9-12(13)8-4-2/h2-3,10,12,14H,6-9,11H2,1H3/t5?,12-,13+/m0/s1
InChIKey IWPICIGBVXMVGF-OTWNXNTISA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 190.286 g/mol
Quality 339
Reported Formula C13H18O
SMILES O[C@@]1(CCCC[C@@]1(CC#C)[H])C(=[C@]=C(C)[H])[H]
SPLASH splash10-00ku-6900000000-d4cd874ab81c51f56c68
Sample Comments dr = 1.3:1
Source of Spectrum QE-21-SM6-S4i (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.52 (PE/EtOAc, 80:2)
Wiley ID 1906828