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Diethyl-(Z)-3-[3,5-Bis-(trifluormethyl)-benzylidene]-4-methylcyclopentane-1,1-dicarboxylate
SpectraBase Compound ID DPItAHjqWn
InChI InChI=1S/C21H22F6O4/c1-4-30-17(28)19(18(29)31-5-2)10-12(3)14(11-19)6-13-7-15(20(22,23)24)9-16(8-13)21(25,26)27/h6-9,12H,4-5,10-11H2,1-3H3/b14-6-
InChIKey LFUJNHIAOALQOQ-NSIKDUERSA-N
Mol Weight 452.39 g/mol
Molecular Formula C21H22F6O4
Exact Mass 452.142228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvATzYZZeMV
Name Diethyl-(Z)-3-[3,5-Bis-(trifluormethyl)-benzylidene]-4-methylcyclopentane-1,1-dicarboxylate
Alternate Name(s) (Z)-diethyl 3-(3,5-bis(trifluoromethyl)benzylidene)-4-methylcyclopentane-1,1-dicarboxylate (3Z)-3-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylic acid diethyl ester Diethyl (3Z)-3-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate Diethyl (3Z)-3-[[3,5-bis(trifluoromethyl)phenyl]methylene]-4-methyl-cyclopentane-1,1-dicarboxylate Diethyl (3Z)-3-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-4-methyl-cyclopentane-1,1-dicarboxylate
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Formula C21H22F6O4
InChI InChI=1S/C21H22F6O4/c1-4-30-17(28)19(18(29)31-5-2)10-12(3)14(11-19)6-13-7-15(20(22,23)24)9-16(8-13)21(25,26)27/h6-9,12H,4-5,10-11H2,1-3H3/b14-6-
InChIKey LFUJNHIAOALQOQ-NSIKDUERSA-N
Literature Reference DOI 10.1002/adsc.200800104
Molecular Weight 452.393 g/mol
SMILES C1(C(=O)OCC)(CC(\C(C1)=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C(OCC)=O
SPLASH splash10-0a6r-0019000000-b8062bb068b5b988c7ec
Source of Spectrum ASC-350-1073/SM11-24
Wiley ID 1766281