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3-(4-bromobenzyl)-6-(4-bromophenyl)-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione
SpectraBase Compound ID 9zdA3qv7qqC
InChI InChI=1S/C21H20Br2O3/c1-20(2)17(14-6-10-16(23)11-7-14)26-19(25)21(3,18(20)24)12-13-4-8-15(22)9-5-13/h4-11,17H,12H2,1-3H3
InChIKey MIQOXYZDVDPVMC-UHFFFAOYSA-N
Mol Weight 480.2 g/mol
Molecular Formula C21H20Br2O3
Exact Mass 477.977921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVrCPtLOFmn
Name 3-(4-bromobenzyl)-6-(4-bromophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-quinone
Alternate Name(s) 3-(4-Bromobenzyl)-6-(4-bromophenyl)-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione 6-(4-bromophenyl)-3-[(4-bromophenyl)methyl]-3,5,5-trimethyl-oxane-2,4-dione 6-(4-bromophenyl)-3-[(4-bromophenyl)methyl]-3,5,5-trimethyl-tetrahydropyran-2,4-dione
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Formula C21H20Br2O3
InChI InChI=1S/C21H20Br2O3/c1-20(2)17(14-6-10-16(23)11-7-14)26-19(25)21(3,18(20)24)12-13-4-8-15(22)9-5-13/h4-11,17H,12H2,1-3H3
InChIKey MIQOXYZDVDPVMC-UHFFFAOYSA-N
Molecular Weight 480.196 g/mol
SMILES C1(C(C(C)(C)C(OC1=O)c1ccc(cc1)Br)=O)(Cc1ccc(cc1)Br)C
SPLASH splash10-00xs-6970000000-bfd14593d4965b68a0f8
Wiley ID 1463282