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Trans-3-trifluoromethylcinnamic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

View entire compound with spectra: 1 NMR

Trans-3-trifluoromethylcinnamic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
SpectraBase Compound ID FWpsiT6EkHX
InChI InChI=1S/C20H21F3O2/c1-14(2)8-10-18(12-15(3)4)25-19(24)11-9-16-6-5-7-17(13-16)20(21,22)23/h5-7,9,11,13,15,18H,1,12H2,2-4H3/b11-9+
InChIKey SHHAYAGTYIIKAS-PKNBQFBNSA-N
Mol Weight 350.38 g/mol
Molecular Formula C20H21F3O2
Exact Mass 350.149364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2avnVsTAMmZ
Name Trans-3-trifluoromethylcinnamic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.149364403 u
Formula C20H21F3O2
InChI InChI=1S/C20H21F3O2/c1-14(2)8-10-18(12-15(3)4)25-19(24)11-9-16-6-5-7-17(13-16)20(21,22)23/h5-7,9,11,13,15,18H,1,12H2,2-4H3/b11-9+
InChIKey SHHAYAGTYIIKAS-PKNBQFBNSA-N
Molecular Weight 350.381 g/mol
SMILES C1=CC=C(C=C1\C=C\C(OC(CC(C)C)C#CC(C)=C)=O)C(F)(F)F