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Ethyl (R,E)-8-(thiophen-2-yl)-4-(2,2,2-trifluoroacetamido)oct-2-enoate

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Ethyl (R,E)-8-(thiophen-2-yl)-4-(2,2,2-trifluoroacetamido)oct-2-enoate
SpectraBase Compound ID 9vnEZkhSV3V
InChI InChI=1S/C16H20F3NO3S/c1-2-23-14(21)10-9-12(20-15(22)16(17,18)19)6-3-4-7-13-8-5-11-24-13/h5,8-12H,2-4,6-7H2,1H3,(H,20,22)/b10-9+/t12-/m1/s1
InChIKey CEYOUIFYJZXLLV-BZYZDCJZSA-N
Mol Weight 363.4 g/mol
Molecular Formula C16H20F3NO3S
Exact Mass 363.111599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oPOfMSIMWL
Name Ethyl (R,E)-8-(thiophen-2-yl)-4-(2,2,2-trifluoroacetamido)oct-2-enoate
Comments Computed using HOSE algorithm
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Exact Mass 363.111599168 u
Formula C16H20F3NO3S
InChI InChI=1S/C16H20F3NO3S/c1-2-23-14(21)10-9-12(20-15(22)16(17,18)19)6-3-4-7-13-8-5-11-24-13/h5,8-12H,2-4,6-7H2,1H3,(H,20,22)/b10-9+/t12-/m1/s1
InChIKey CEYOUIFYJZXLLV-BZYZDCJZSA-N
Molecular Weight 363.395 g/mol
SMILES C(\C=C\[C@@](CCCCC1=CC=CS1)(NC(C(F)(F)F)=O)[H])(=O)OCC