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(1R,2R)-1-(4-Methoxyphenyl)-2-phenoxy-2-phenylethanol
SpectraBase Compound ID EnYJE7FMB76
InChI InChI=1S/C21H20O3/c1-23-18-14-12-16(13-15-18)20(22)21(17-8-4-2-5-9-17)24-19-10-6-3-7-11-19/h2-15,20-22H,1H3/t20-,21+/m0/s1
InChIKey LHJUPEKHVVSJDS-LEWJYISDSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFrw3HLiRfm
Name (1S,2R)-1-(4-Methoxyphenyl)-2-phenoxy-2-phenylethanol
Appearance Colorless oil
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Formula C21H20O3
InChI InChI=1S/C21H20O3/c1-23-18-14-12-16(13-15-18)20(22)21(17-8-4-2-5-9-17)24-19-10-6-3-7-11-19/h2-15,20-22H,1H3/t20-,21+/m0/s1
InChIKey LHJUPEKHVVSJDS-LEWJYISDSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602254
Molecular Weight 320.388 g/mol
Quality 31
Reported Formula C21H20O3
SMILES O[C@]([C@](OC1=CC=CC=C1)(C=1C=CC=CC1)[H])(C1=CC=C(C=C1)OC)[H]
SPLASH splash10-000i-0900000000-702f1f7cb1acbe2fe9f5
Sample Comments Minor diastereoisomer, dr = 20:1
Source of Spectrum QE-22-SM13-anti-6ag (DOI: 10.1002/chem.201602254)
Thin-Layer Chromatography 0.12 (hexane/EtOAc, 8:1)
Wiley ID 1905236