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Methyl 4-(2-ethoxycarbonylphenyl)-3-perfluoropropyl-2-triphenylphosphoranylidene-3-butnoate
SpectraBase Compound ID Crg8zzZDMq0
InChI InChI=1S/C35H28F7O4P/c1-3-46-31(43)28-22-14-13-15-24(28)23-29(33(36,37)34(38,39)35(40,41)42)30(32(44)45-2)47(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 OKQQSJKFSFGEGC-FAJYDZGRSA-N
Mol Weight 676.6 g/mol
Molecular Formula C35H28F7O4P
Exact Mass 676.161344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUPZe4jsgAY
Name Methyl 4-(2-ethoxycarbonylphenyl)-3-perfluoropropyl-2-triphenylphosphoranylidene-3-butnoate
Comments Less than 3 mono-isotopic peaks
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Formula C35H28F7O4P
InChI InChI=1S/C35H28F7O4P/c1-3-46-31(43)28-22-14-13-15-24(28)23-29(33(36,37)34(38,39)35(40,41)42)30(32(44)45-2)47(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 OKQQSJKFSFGEGC-FAJYDZGRSA-N
Molecular Weight 676.568 g/mol
SMILES C(\C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)=C/c1c(C(=O)OCC)cccc1)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-0006-0090000000-a3891635003a2d6d807c
Source of Spectrum SO-0-636-3
Wiley ID 1543340