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(R*,1'S*,4'R*)-1-(1'-Methyl-2'-methylene-4'-pentylcyclobutyl)-3-phenylpropan-1-ol
SpectraBase Compound ID Efqsl83qU0J
InChI InChI=1S/C20H30O/c1-4-5-7-12-18-15-16(2)20(18,3)19(21)14-13-17-10-8-6-9-11-17/h6,8-11,18-19,21H,2,4-5,7,12-15H2,1,3H3/t18-,19-,20-/m1/s1
InChIKey VKQASFLCDANFBS-VAMGGRTRSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwhEXwAWmlo
Name (R*,1'S*,4'R*)-1-(1'-Methyl-2'-methylene-4'-pentylcyclobutyl)-3-phenylpropan-1-ol
Appearance Colorless oil
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Exact Mass 286.229665585 u
Formula C20H30O
InChI InChI=1S/C20H30O/c1-4-5-7-12-18-15-16(2)20(18,3)19(21)14-13-17-10-8-6-9-11-17/h6,8-11,18-19,21H,2,4-5,7,12-15H2,1,3H3/t18-,19-,20-/m1/s1
InChIKey VKQASFLCDANFBS-VAMGGRTRSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 286.459 g/mol
Quality 107
Reported Formula C20H30O
SMILES O[C@@]([C@]1([C@@](CC1=C)(CCCCC)[H])C)(CCC1=CC=CC=C1)[H]
SPLASH splash10-0k96-7900000000-96b9031a68fb7cca6f01
Sample Comments dr = 99:1:0:0
Source of Spectrum QE-23-SM20-12h (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.15 (hexane/EtOAc, 97:3, UV, KMnO4, PAA)
Wiley ID 1903857