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Ethyl (S,E)-6-phenyl-4-(2,2,2-trifluoroacetamido)hex-2-enoate

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Ethyl (S,E)-6-phenyl-4-(2,2,2-trifluoroacetamido)hex-2-enoate
SpectraBase Compound ID Apowh4zAczn
InChI InChI=1S/C16H18F3NO3/c1-2-23-14(21)11-10-13(20-15(22)16(17,18)19)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3,(H,20,22)/b11-10+/t13-/m0/s1
InChIKey FRFAQPXHFBKHGY-NHAQELONSA-N
Mol Weight 329.32 g/mol
Molecular Formula C16H18F3NO3
Exact Mass 329.123878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1wzrAsZxbl
Name Ethyl (S,E)-6-phenyl-4-(2,2,2-trifluoroacetamido)hex-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.123877930 u
Formula C16H18F3NO3
InChI InChI=1S/C16H18F3NO3/c1-2-23-14(21)11-10-13(20-15(22)16(17,18)19)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3,(H,20,22)/b11-10+/t13-/m0/s1
InChIKey FRFAQPXHFBKHGY-NHAQELONSA-N
Molecular Weight 329.319 g/mol
SMILES C(\C=C\[C@](CCC1=CC=CC=C1)(NC(C(F)(F)F)=O)[H])(=O)OCC