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Methyl (R)-7-(4-Fluorophenyl)-7-(3-formyl-6-methoxy-2,4,5-trimethylphenyl)heptanoate
SpectraBase Compound ID 3e8dVQtNEKK
InChI InChI=1S/C25H31FO4/c1-16-17(2)25(30-5)24(18(3)22(16)15-27)21(19-11-13-20(26)14-12-19)9-7-6-8-10-23(28)29-4/h11-15,21H,6-10H2,1-5H3/t21-/m1/s1
InChIKey LBWAELLGIFIQTL-OAQYLSRUSA-N
Mol Weight 414.52 g/mol
Molecular Formula C25H31FO4
Exact Mass 414.220638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ek0IuDzHTNL
Name Methyl (R)-7-(4-Fluorophenyl)-7-(3-formyl-6-methoxy-2,4,5-trimethylphenyl)heptanoate
Alternate Name(s) (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-methoxy-3,4,6-trimethyl-phenyl)enanthic acid methyl ester (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-methoxy-3,4,6-trimethylphenyl)heptanoic acid methyl ester Methyl (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-methoxy-3,4,6-trimethyl-phenyl)heptanoate Methyl (7R)-7-(4-fluorophenyl)-7-(5-methanoyl-2-methoxy-3,4,6-trimethyl-phenyl)heptanoate
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Formula C25H31FO4
InChI InChI=1S/C25H31FO4/c1-16-17(2)25(30-5)24(18(3)22(16)15-27)21(19-11-13-20(26)14-12-19)9-7-6-8-10-23(28)29-4/h11-15,21H,6-10H2,1-5H3/t21-/m1/s1
InChIKey LBWAELLGIFIQTL-OAQYLSRUSA-N
Molecular Weight 414.517 g/mol
SMILES C(CCCCC[C@@](c1c(c(c(c(c1OC)C)C)C=O)C)(c1ccc(cc1)F)[H])(=O)OC
SPLASH splash10-0a4i-0940400000-cf9141c933914939e574
Source of Spectrum E1-44-753-10
Wiley ID 1553374