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2-(adamantan-1-yl)-6-methoxy-[1,1'-biphenyl]-4-yl trifluoromethanesulfonate
SpectraBase Compound ID E3aUW0CsWm7
InChI InChI=1S/C24H25F3O4S/c1-30-21-11-19(31-32(28,29)24(25,26)27)10-20(22(21)18-5-3-2-4-6-18)23-12-15-7-16(13-23)9-17(8-15)14-23/h2-6,10-11,15-17H,7-9,12-14H2,1H3
InChIKey AVPCVVVJFHNKNS-UHFFFAOYSA-N
Mol Weight 466.52 g/mol
Molecular Formula C24H25F3O4S
Exact Mass 466.142565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4PDRI8bSgo
Name 2-(adamantan-1-yl)-6-methoxy-[1,1'-biphenyl]-4-yl trifluoromethanesulfonate
Appearance White solid
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Formula C24H25F3O4S
InChI InChI=1S/C24H25F3O4S/c1-30-21-11-19(31-32(28,29)24(25,26)27)10-20(22(21)18-5-3-2-4-6-18)23-12-15-7-16(13-23)9-17(8-15)14-23/h2-6,10-11,15-17H,7-9,12-14H2,1H3
InChIKey AVPCVVVJFHNKNS-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202001326
Molecular Weight 466.515 g/mol
Reported Formula C24H25F3O4S
SMILES c1(cc(c(c(c1)C12CC3CC(CC(C3)C1)C2)-c1ccccc1)OC)OS(C(F)(F)F)(=O)=O
SPLASH splash10-014i-1263900000-515fee9ae31341d09af7
Source of Spectrum ACI-59-SM20-10d
Thin-Layer Chromatography Rf = 0.19 (Hexane/DCM, 10:1)
Wiley ID 1857863