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Methyl (R)-7-(4-Fluorophenyl)-7-(3-formyl-6-hydroxy-2,4,5-trimethylphenyl)heptanoate
SpectraBase Compound ID SZsJlwst4n
InChI InChI=1S/C24H29FO4/c1-15-16(2)24(28)23(17(3)21(15)14-26)20(18-10-12-19(25)13-11-18)8-6-5-7-9-22(27)29-4/h10-14,20,28H,5-9H2,1-4H3/t20-/m1/s1
InChIKey SYOUIKUARNCIAW-HXUWFJFHSA-N
Mol Weight 400.49 g/mol
Molecular Formula C24H29FO4
Exact Mass 400.204988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cTbAErXWzp
Name Methyl (R)-7-(4-Fluorophenyl)-7-(3-formyl-6-hydroxy-2,4,5-trimethylphenyl)heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29FO4
InChI InChI=1S/C24H29FO4/c1-15-16(2)24(28)23(17(3)21(15)14-26)20(18-10-12-19(25)13-11-18)8-6-5-7-9-22(27)29-4/h10-14,20,28H,5-9H2,1-4H3/t20-/m1/s1
InChIKey SYOUIKUARNCIAW-HXUWFJFHSA-N
Molecular Weight 400.490 g/mol
SMILES Oc1c(c(c(c(C)c1C)C=O)C)[C@@](c1ccc(cc1)F)(CCCCCC(=O)OC)[H]
SPLASH splash10-00di-0091200000-93493d24a3604db3032e
Source of Spectrum E1-44-753-9
Synonyms (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethyl-phenyl)enanthic acid methyl ester (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethylphenyl)heptanoic acid methyl ester Methyl (7R)-7-(4-fluorophenyl)-7-(3-methanoyl-2,4,5-trimethyl-6-oxidanyl-phenyl)heptanoate Methyl (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethyl-phenyl)heptanoate
Wiley ID 1553375