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2-Bromo-3,3-bis(4-fluorophenyl)-8-(methoxycarbonyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-ol
SpectraBase Compound ID 2msgPY632cc
InChI InChI=1S/C27H19BrF2O4/c1-33-26(32)16-2-12-21-15(14-16)3-13-22-23(21)24(31)25(28)27(34-22,17-4-8-19(29)9-5-17)18-6-10-20(30)11-7-18/h2-14,24-25,31H,1H3
InChIKey FBFQJZKOHLUXRW-UHFFFAOYSA-N
Mol Weight 525.35 g/mol
Molecular Formula C27H19BrF2O4
Exact Mass 524.043478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNfrWx79eW6
Name 2-Bromo-3,3-bis(4-fluorophenyl)-8-(methoxycarbonyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19BrF2O4
InChI InChI=1S/C27H19BrF2O4/c1-33-26(32)16-2-12-21-15(14-16)3-13-22-23(21)24(31)25(28)27(34-22,17-4-8-19(29)9-5-17)18-6-10-20(30)11-7-18/h2-14,24-25,31H,1H3
InChIKey FBFQJZKOHLUXRW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 SQ
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.5.25
Molecular Weight 525.346 g/mol
Reported Formula C27H19BrF2O4
SMILES OC1c2c3c(ccc2OC(C1Br)(c1ccc(cc1)F)c1ccc(cc1)F)cc(cc3)C(OC)=O
SPLASH splash10-00di-0940100000-419e5b39142a2e8e5351
Source of Spectrum BJO-5-SM14-11
Thin-Layer Chromatography Rf = 0.26 (pentane/diethyl ether, 1:1)
Wiley ID 1871569