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3-Bromo-2,2-bis(4-fluorophenyl)-6-[(methoxycarbonyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-ol
SpectraBase Compound ID BccPUpQPcq3
InChI InChI=1S/C24H19BrF2O4/c1-30-21(28)13-14-2-11-20-19(12-14)22(29)23(25)24(31-20,15-3-7-17(26)8-4-15)16-5-9-18(27)10-6-16/h2-12,22-23,29H,13H2,1H3
InChIKey XGMVNJFGCJXYHW-UHFFFAOYSA-N
Mol Weight 489.31 g/mol
Molecular Formula C24H19BrF2O4
Exact Mass 488.043478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZCcPywU97h
Name 3-Bromo-2,2-bis(4-fluorophenyl)-6-[(methoxycarbonyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-ol
Appearance Colorless solid
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Formula C24H19BrF2O4
InChI InChI=1S/C24H19BrF2O4/c1-30-21(28)13-14-2-11-20-19(12-14)22(29)23(25)24(31-20,15-3-7-17(26)8-4-15)16-5-9-18(27)10-6-16/h2-12,22-23,29H,13H2,1H3
InChIKey XGMVNJFGCJXYHW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 SQ
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.5.25
Molecular Weight 489.313 g/mol
Reported Formula C24H19BrF2O4
SMILES OC1C(C(Oc2c1cc(cc2)CC(OC)=O)(c1ccc(cc1)F)c1ccc(cc1)F)Br
SPLASH splash10-0007-0195200000-72eb011eb48d2f94d98d
Source of Spectrum BJO-5-SM19-13a
Thin-Layer Chromatography Rf = 0.53 (pentane/ethyl acetate, 1:1)
Wiley ID 1871572