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Ethyl (E)-2-ethoxycarbonyl-6,6,6-trifluoro-3-(o-tolyl)-4-hexenoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lt8k3JHCGR3
Name Ethyl (E)-2-ethoxycarbonyl-6,6,6-trifluoro-3-(o-tolyl)-4-hexenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.139193641 u
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)C=1C(=CC=CC1)C)C(=O)OCC)(=O)OCC