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2,2-Bis(4-fluorophenyl)-6-({[(9H-fluoren-9-yl)methoxycarbonyl]amino}methyl)-2H 1 benzopyran-3-carboxylic acid
SpectraBase Compound ID DmULXQS4cww
InChI InChI=1S/C38H27F2NO5/c39-27-14-10-25(11-15-27)38(26-12-16-28(40)17-13-26)34(36(42)43)20-24-19-23(9-18-35(24)46-38)21-41-37(44)45-22-33-31-7-3-1-5-29(31)30-6-2-4-8-32(30)33/h1-20,33H,21-22H2,(H,41,44)(H,42,43)
InChIKey SZWGYCYXIAFREP-UHFFFAOYSA-N
Mol Weight 615.6 g/mol
Molecular Formula C38H27F2NO5
Exact Mass 615.185729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fet2fmOXLDK
Name 2,2-Bis(4-fluorophenyl)-6-({[(9H-fluoren-9-yl)methoxycarbonyl]amino}methyl)-2H 1 benzopyran-3-carboxylic acid
Appearance Pale yellow wax
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Formula C38H27F2NO5
InChI InChI=1S/C38H27F2NO5/c39-27-14-10-25(11-15-27)38(26-12-16-28(40)17-13-26)34(36(42)43)20-24-19-23(9-18-35(24)46-38)21-41-37(44)45-22-33-31-7-3-1-5-29(31)30-6-2-4-8-32(30)33/h1-20,33H,21-22H2,(H,41,44)(H,42,43)
InChIKey SZWGYCYXIAFREP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 SQ
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.5.25
Molecular Weight 615.633 g/mol
Reported Formula C38H27F2NO5
SMILES OC(C=1C(Oc2c(cc(CNC(=O)OCC3c4c(-c5c3cccc5)cccc4)cc2)C1)(c1ccc(cc1)F)c1ccc(cc1)F)=O
SPLASH splash10-004i-0931000000-bf174e53b84c02bf17d3
Source of Spectrum BJO-5-SM34-6
Thin-Layer Chromatography Rf = 0.30 (acetone/pentane, 2:3)
Wiley ID 1871584