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trans-Diethyl-2-[3,5-bis-(trifluormethyl)-cinnamyl]-2-allylmalonate
SpectraBase Compound ID 5kN4gOdslNZ
InChI InChI=1S/C21H22F6O4/c1-4-9-19(17(28)30-5-2,18(29)31-6-3)10-7-8-14-11-15(20(22,23)24)13-16(12-14)21(25,26)27/h4,7-8,11-13H,1,5-6,9-10H2,2-3H3/b8-7+
InChIKey UXHRCJXFJOAGOE-BQYQJAHWSA-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 CY9oMbPCqiz
Name trans-Diethyl-2-[3,5-bis-(trifluormethyl)-cinnamyl]-2-allylmalonate
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Formula C21H22F6O4
InChI InChI=1S/C21H22F6O4/c1-4-9-19(17(28)30-5-2,18(29)31-6-3)10-7-8-14-11-15(20(22,23)24)13-16(12-14)21(25,26)27/h4,7-8,11-13H,1,5-6,9-10H2,2-3H3/b8-7+
InChIKey UXHRCJXFJOAGOE-BQYQJAHWSA-N
Literature Reference DOI 10.1002/adsc.200800104
Molecular Weight 452.393 g/mol
SMILES C(C\C=C\c1cc(cc(C(F)(F)F)c1)C(F)(F)F)(C(OCC)=O)(CC=C)C(OCC)=O
SPLASH splash10-0gdi-0079200000-feebbf64f4953a70cfe7
Source of Spectrum ASC-350-1073/SM5-23
Synonyms (E)-diethyl 2-allyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)allyl)malonate 2-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-2-prop-2-enylpropanedioic acid diethyl ester Diethyl 2-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-2-prop-2-enylpropanedioate Diethyl 2-allyl-2-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]allyl]propanedioate Diethyl 2-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-2-prop-2-enyl-propanedioate
Wiley ID 1766280