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3-Acetyl-6-bromo-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-one
SpectraBase Compound ID 25BvN9cVSSh
InChI InChI=1S/C20H16BrClO4/c1-10(19(24)12-3-6-14(22)7-4-12)17-15-9-13(21)5-8-16(15)26-20(25)18(17)11(2)23/h3-10,17-18H,1-2H3
InChIKey CMORVICBSKYKGU-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C20H16BrClO4
Exact Mass 433.99205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4y7bReNRTO
Name 3-Acetyl-6-bromo-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-one
Alternate Name(s) 3-Acetyl-6-bromo-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3,4-dihydrochromen-2-one 3-Acetyl-6-bromo-4-[2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]chroman-2-one 6-Bromanyl-4-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-3-ethanoyl-3,4-dihydrochromen-2-one
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Formula C20H16BrClO4
InChI InChI=1S/C20H16BrClO4/c1-10(19(24)12-3-6-14(22)7-4-12)17-15-9-13(21)5-8-16(15)26-20(25)18(17)11(2)23/h3-10,17-18H,1-2H3
InChIKey CMORVICBSKYKGU-UHFFFAOYSA-N
Molecular Weight 435.701 g/mol
SMILES c12ccc(cc2C(C(C(O1)=O)C(=O)C)C(C)C(=O)c1ccc(cc1)Cl)Br
SPLASH splash10-00ko-6950000000-e2ef922b63d61f257351
Wiley ID 1445810