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Ethyl (E)-2-ethoxycarbonyl-6,6,6-trifluoro-3-mesityl-4-hexenoate
SpectraBase Compound ID IJyZOUz9lE0
InChI InChI=1S/C20H25F3O4/c1-6-26-18(24)17(19(25)27-7-2)15(8-9-20(21,22)23)16-13(4)10-12(3)11-14(16)5/h8-11,15,17H,6-7H2,1-5H3/b9-8+
InChIKey ONRQOQCMNBYQPX-CMDGGOBGSA-N
Mol Weight 386.41 g/mol
Molecular Formula C20H25F3O4
Exact Mass 386.170494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dMeWpmjSZg
Name Ethyl (E)-2-ethoxycarbonyl-6,6,6-trifluoro-3-mesityl-4-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F3O4
InChI InChI=1S/C20H25F3O4/c1-6-26-18(24)17(19(25)27-7-2)15(8-9-20(21,22)23)16-13(4)10-12(3)11-14(16)5/h8-11,15,17H,6-7H2,1-5H3/b9-8+
InChIKey ONRQOQCMNBYQPX-CMDGGOBGSA-N
Molecular Weight 386.411 g/mol
SMILES C(C(C(\C=C\C(F)(F)F)c1c(C)cc(C)cc1C)C(=O)OCC)(=O)OCC
SPLASH splash10-004i-0591000000-952b17766c440e3fdd9b
Source of Spectrum AU-676-48-5
Synonyms Diethyl 2-[(2E)-4,4,4-trifluoro-1-mesityl-2-butenyl]malonate
Wiley ID 1575717