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[(1S,2S)-3-methyl-2,3-diphenyl-cyclobutyl]methanol
SpectraBase Compound ID AlJu1zG11Jq
InChI InChI=1S/C18H20O/c1-18(16-10-6-3-7-11-16)12-15(13-19)17(18)14-8-4-2-5-9-14/h2-11,15,17,19H,12-13H2,1H3/t15-,17-,18?/m1/s1
InChIKey FXJIUGSKLZAJHC-KOFGWKMWSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg46pQiGerK
Name [(1S,2S)-3-methyl-2,3-diphenyl-cyclobutyl]methanol
Appearance Colorless oil
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Formula C18H20O
InChI InChI=1S/C18H20O/c1-18(16-10-6-3-7-11-16)12-15(13-19)17(18)14-8-4-2-5-9-14/h2-11,15,17,19H,12-13H2,1H3/t15-,17-,18?/m1/s1
InChIKey FXJIUGSKLZAJHC-KOFGWKMWSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202001634
Molecular Weight 252.357 g/mol
Optical Rotation [a]D26 = +54 (c = 1, CH2Cl2)
Reported Formula C18H20O
SMILES OC[C@]1(CC([C@@]1(c1ccccc1)[H])(c1ccccc1)C)[H]
SPLASH splash10-001i-9310000000-4b391c85c211f749b9be
Sample Comments dr = 61:39, er = 92:8 (major), er = 94:6 (minor)
Source of Spectrum ACI-59-SM105-S14ae
Thin-Layer Chromatography Rf = 0.27 (P/Et2O, 1:1)
Wiley ID 1857977