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Isopropyl 3-Hydroxy-1-methyl-9-(4-bromophenyl)-9,10-dihydro-phenanthrene-4-carboxylate
SpectraBase Compound ID CjWKoFEVvGJ
InChI InChI=1S/C25H23BrO3/c1-14(2)29-25(28)24-22(27)12-15(3)20-13-21(16-8-10-17(26)11-9-16)18-6-4-5-7-19(18)23(20)24/h4-12,14,21,27H,13H2,1-3H3
InChIKey GBQCTEKOHQDGND-UHFFFAOYSA-N
Mol Weight 451.36 g/mol
Molecular Formula C25H23BrO3
Exact Mass 450.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7l2MLA5PEXT
Name Isopropyl 3-Hydroxy-1-methyl-9-(4-bromophenyl)-9,10-dihydro-phenanthrene-4-carboxylate
Alternate Name(s) 9-(4-bromophenyl)-3-hydroxy-1-methyl-9,10-dihydrophenanthrene-4-carboxylic acid propan-2-yl ester Propan-2-yl 9-(4-bromophenyl)-3-hydroxy-1-methyl-9,10-dihydrophenanthrene-4-carboxylate isopropyl 9-(4-bromophenyl)-3-hydroxy-1-methyl-9,10-dihydrophenanthrene-4-carboxylate Propan-2-yl 9-(4-bromophenyl)-1-methyl-3-oxidanyl-9,10-dihydrophenanthrene-4-carboxylate
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Formula C25H23BrO3
InChI InChI=1S/C25H23BrO3/c1-14(2)29-25(28)24-22(27)12-15(3)20-13-21(16-8-10-17(26)11-9-16)18-6-4-5-7-19(18)23(20)24/h4-12,14,21,27H,13H2,1-3H3
InChIKey GBQCTEKOHQDGND-UHFFFAOYSA-N
Molecular Weight 451.360 g/mol
SMILES Oc1c(c-2c(CC(c3c2cccc3)c2ccc(cc2)Br)c(c1)C)C(OC(C)C)=O
SPLASH splash10-0f6x-0019500000-2c27f86fa9cfe0e6a613
Source of Spectrum U1-2010-5124-5j
Wiley ID 1664406