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Methyl 4-(2-ethoxycarbonylphenyl)-3-trifluoromethyl-2-triphenylphosphoranylidene-3-butnoate
SpectraBase Compound ID 5vnp9yQ7NNM
InChI InChI=1S/C33H28F3O4P/c1-3-40-31(37)28-22-14-13-15-24(28)23-29(33(34,35)36)30(32(38)39-2)41(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h4-23H,3H2,1-2H3/b29-23-
InChIKey WKPVASVYBRYWSD-FAJYDZGRSA-N
Mol Weight 576.6 g/mol
Molecular Formula C33H28F3O4P
Exact Mass 576.167731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUmYOs1VzUp
Name Methyl 4-(2-ethoxycarbonylphenyl)-3-trifluoromethyl-2-triphenylphosphoranylidene-3-butnoate
Comments Less than 3 mono-isotopic peaks
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Formula C33H28F3O4P
InChI InChI=1S/C33H28F3O4P/c1-3-40-31(37)28-22-14-13-15-24(28)23-29(33(34,35)36)30(32(38)39-2)41(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27/h4-23H,3H2,1-2H3/b29-23-
InChIKey WKPVASVYBRYWSD-FAJYDZGRSA-N
Molecular Weight 576.552 g/mol
SMILES C(\C(=C\c1c(C(=O)OCC)cccc1)C(F)(F)F)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
SPLASH splash10-03di-0090010000-55b08210d6740a6b72c7
Source of Spectrum SO-0-636-3
Wiley ID 1543341