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1-(4-Fluoro-4'-methoxy-[1,1'-biphenyl]-2-yl)adamantane
SpectraBase Compound ID KSTxdojcKjY
InChI InChI=1S/C23H25FO/c1-25-20-5-2-18(3-6-20)21-7-4-19(24)11-22(21)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-7,11,15-17H,8-10,12-14H2,1H3
InChIKey OHPXUBCHPKGMKF-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C23H25FO
Exact Mass 336.188944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Wxa7BS9wvl
Name 1-(4-Fluoro-4'-methoxy-[1,1'-biphenyl]-2-yl)adamantane
Appearance Colorless oil
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Formula C23H25FO
InChI InChI=1S/C23H25FO/c1-25-20-5-2-18(3-6-20)21-7-4-19(24)11-22(21)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-7,11,15-17H,8-10,12-14H2,1H3
InChIKey OHPXUBCHPKGMKF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202001326
Molecular Weight 336.450 g/mol
Reported Formula C23H25FO
SMILES c1cc(cc(c1-c1ccc(cc1)OC)C12CC3CC(CC(C3)C1)C2)F
SPLASH splash10-000i-0249000000-d174b7022016c5b6070c
Source of Spectrum ACI-59-SM27-12i
Thin-Layer Chromatography Rf = 0.66 (Hexane/EtOAc, 10:1)
Wiley ID 1857877