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2H-pyran-2,4(3H)-dione, 6-(4-bromophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]dihydro-3,5,5-trimethyl-
SpectraBase Compound ID Gf6UTdmhNIn
InChI InChI=1S/C22H20BrFO4/c1-21(2)18(14-4-8-15(23)9-5-14)28-20(27)22(3,19(21)26)12-17(25)13-6-10-16(24)11-7-13/h4-11,18H,12H2,1-3H3
InChIKey UHZJZPLJWGIJRO-UHFFFAOYSA-N
Mol Weight 447.3 g/mol
Molecular Formula C22H20BrFO4
Exact Mass 446.0529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ByTeBBGrdX
Name 6-(4-bromophenyl)-3-[2-(4-fluorophenyl)-2-keto-ethyl]-3,5,5-trimethyl-tetrahydropyran-2,4-quinone
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Formula C22H20BrFO4
InChI InChI=1S/C22H20BrFO4/c1-21(2)18(14-4-8-15(23)9-5-14)28-20(27)22(3,19(21)26)12-17(25)13-6-10-16(24)11-7-13/h4-11,18H,12H2,1-3H3
InChIKey UHZJZPLJWGIJRO-UHFFFAOYSA-N
Molecular Weight 447.300 g/mol
SMILES C1(C(C(C)(C)C(OC1=O)c1ccc(cc1)Br)=O)(CC(c1ccc(cc1)F)=O)C
SPLASH splash10-006x-9740000000-a4bd151fe9379279fdca
Synonyms 6-(4-bromophenyl)-3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-3,5,5-trimethyl-oxane-2,4-dione 6-(4-bromophenyl)-3-[2-(4-fluorophenyl)-2-oxo-ethyl]-3,5,5-trimethyl-tetrahydropyran-2,4-dione 6-(4-Bromophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione 6-(4-bromophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3,5,5-trimethyloxane-2,4-dione
Wiley ID 1453265