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6-Bromo-2-keto-4-(1-p-toluoylpropyl)chroman-3-carboxylic acid methyl ester
SpectraBase Compound ID 9GvrO83omlx
InChI InChI=1S/C22H21BrO5/c1-4-15(20(24)13-7-5-12(2)6-8-13)18-16-11-14(23)9-10-17(16)28-22(26)19(18)21(25)27-3/h5-11,15,18-19H,4H2,1-3H3
InChIKey NNCHOCPXJJOWSP-UHFFFAOYSA-N
Mol Weight 445.31 g/mol
Molecular Formula C22H21BrO5
Exact Mass 444.057237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jNiczehaSs
Name 6-Bromo-2-keto-4-(1-p-toluoylpropyl)chroman-3-carboxylic acid methyl ester
Alternate Name(s) 6-Bromo-4-[1-(4-methylphenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester Methyl 6-bromanyl-4-[1-(4-methylphenyl)-1-oxidanylidene-butan-2-yl]-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Methyl 6-bromo-4-[1-(4-methylbenzoyl)propyl]-2-oxo-chromane-3-carboxylate Methyl 6-bromo-4-[1-(4-methylphenyl)-1-oxobutan-2-yl]-2-oxo-3,4-dihydrochromene-3-carboxylate
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Formula C22H21BrO5
InChI InChI=1S/C22H21BrO5/c1-4-15(20(24)13-7-5-12(2)6-8-13)18-16-11-14(23)9-10-17(16)28-22(26)19(18)21(25)27-3/h5-11,15,18-19H,4H2,1-3H3
InChIKey NNCHOCPXJJOWSP-UHFFFAOYSA-N
Molecular Weight 445.309 g/mol
SMILES c1(Br)cc2c(cc1)OC(C(C2C(CC)C(=O)c1ccc(cc1)C)C(OC)=O)=O
SPLASH splash10-014i-5910000000-a22c3d5847470d03e80c
Wiley ID 1445639