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Ethyl (E)-2-ethoxycarbonyl-6,6,6-trifluoro-3-(o-tolyl)-4-hexenoate
SpectraBase Compound ID I1c4VGlD4e3
InChI InChI=1S/C18H21F3O4/c1-4-24-16(22)15(17(23)25-5-2)14(10-11-18(19,20)21)13-9-7-6-8-12(13)3/h6-11,14-15H,4-5H2,1-3H3/b11-10+
InChIKey XPCYFXJAJXGEHL-ZHACJKMWSA-N
Mol Weight 358.36 g/mol
Molecular Formula C18H21F3O4
Exact Mass 358.139194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyUJWIivxAk
Name Ethyl (E)-2-ethoxycarbonyl-6,6,6-trifluoro-3-(o-tolyl)-4-hexenoate
Alternate Name(s) Diethyl 2-[(2E)-4,4,4-trifluoro-1-(2-methylphenyl)-2-butenyl]malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21F3O4
InChI InChI=1S/C18H21F3O4/c1-4-24-16(22)15(17(23)25-5-2)14(10-11-18(19,20)21)13-9-7-6-8-12(13)3/h6-11,14-15H,4-5H2,1-3H3/b11-10+
InChIKey XPCYFXJAJXGEHL-ZHACJKMWSA-N
Molecular Weight 358.357 g/mol
SMILES C(C(C(\C=C\C(F)(F)F)c1c(cccc1)C)C(=O)OCC)(=O)OCC
SPLASH splash10-004i-1900000000-f9b25676f58d38b7edae
Source of Spectrum AU-676-47-5
Wiley ID 1575718