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Ethyl (R,E)-6-methyl-4-(2,2,2-trifluoroacetamido)hept-2-enoate

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Ethyl (R,E)-6-methyl-4-(2,2,2-trifluoroacetamido)hept-2-enoate
SpectraBase Compound ID 9VAQkdlpPF4
InChI InChI=1S/C12H18F3NO3/c1-4-19-10(17)6-5-9(7-8(2)3)16-11(18)12(13,14)15/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)/b6-5+/t9-/m0/s1
InChIKey SFESXXXJZDHIED-CYNONHLPSA-N
Mol Weight 281.28 g/mol
Molecular Formula C12H18F3NO3
Exact Mass 281.123878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGPuWzU1EMC
Name Ethyl (R,E)-6-methyl-4-(2,2,2-trifluoroacetamido)hept-2-enoate
Comments Computed using HOSE algorithm
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Exact Mass 281.123877930 u
Formula C12H18F3NO3
InChI InChI=1S/C12H18F3NO3/c1-4-19-10(17)6-5-9(7-8(2)3)16-11(18)12(13,14)15/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)/b6-5+/t9-/m0/s1
InChIKey SFESXXXJZDHIED-CYNONHLPSA-N
Molecular Weight 281.275 g/mol
SMILES C(\C=C\[C@@](CC(C)C)(NC(C(F)(F)F)=O)[H])(=O)OCC