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(7R)-7-(5-acetyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)enanthic acid methyl ester
SpectraBase Compound ID DJL8RFC3EKK
InChI InChI=1S/C26H33FO4/c1-16-17(2)26(31-6)25(18(3)24(16)19(4)28)22(20-12-14-21(27)15-13-20)10-8-7-9-11-23(29)30-5/h12-15,22H,7-11H2,1-6H3/t22-/m1/s1
InChIKey PMXUYZWEPAPTIH-JOCHJYFZSA-N
Mol Weight 428.5 g/mol
Molecular Formula C26H33FO4
Exact Mass 428.236288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wLbrbczoNK
Name (7R)-7-(5-acetyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)enanthic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33FO4
InChI InChI=1S/C26H33FO4/c1-16-17(2)26(31-6)25(18(3)24(16)19(4)28)22(20-12-14-21(27)15-13-20)10-8-7-9-11-23(29)30-5/h12-15,22H,7-11H2,1-6H3/t22-/m1/s1
InChIKey PMXUYZWEPAPTIH-JOCHJYFZSA-N
Molecular Weight 428.544 g/mol
SMILES C(CCCCC[C@@](c1c(c(c(c(c1OC)C)C)C(=O)C)C)(c1ccc(cc1)F)[H])(=O)OC
SPLASH splash10-0a4i-0924200000-7ddf004f1a23f795ad48
Source of Spectrum E1-44-754-12
Synonyms (7R)-7-(5-acetyl-2-methoxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid methyl ester Methyl (7R)-7-(5-acetyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoate Methyl (7R)-7-(5-ethanoyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoate
Wiley ID 1553372