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N-(2-carboxy-3-oxo-4,4,4-trifluoro-1-butenyl)anthranilic acid, N-ethyl 1-methyl ester
SpectraBase Compound ID 2pVpTizlW6T
InChI InChI=1S/C15H14F3NO5/c1-3-24-14(22)10(12(20)15(16,17)18)8-19-11-7-5-4-6-9(11)13(21)23-2/h4-8,19H,3H2,1-2H3
InChIKey PLAQKTYFVKYFKJ-UHFFFAOYSA-N
Mol Weight 345.27 g/mol
Molecular Formula C15H14F3NO5
Exact Mass 345.082407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9q6Tks01fuU
Name N-(2-Carboxy-3-oxo-4,4,4-trifluoro-1-butenyl)anthranilic acid, N-ethyl 1-methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.082407039 u
Formula C15H14F3NO5
InChI InChI=1S/C15H14F3NO5/c1-3-24-14(22)10(12(20)15(16,17)18)8-19-11-7-5-4-6-9(11)13(21)23-2/h4-8,19H,3H2,1-2H3
InChIKey PLAQKTYFVKYFKJ-UHFFFAOYSA-N
Molecular Weight 345.274 g/mol
SMILES N(C=1C(=CC=CC1)C(=O)OC)C=C(C(=O)C(F)(F)F)C(OCC)=O