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3-[3-Hydroxyindolinone-3-yl]propionic acid, 2-trifluroacetamido, methyl ester

View entire compound with spectra: 1 NMR

3-[3-Hydroxyindolinone-3-yl]propionic acid, 2-trifluroacetamido, methyl ester
SpectraBase Compound ID JttwniJ8x4
InChI InChI=1S/C14H13F3N2O5/c1-24-10(20)9(19-12(22)14(15,16)17)6-13(23)7-4-2-3-5-8(7)18-11(13)21/h2-5,9,23H,6H2,1H3,(H,18,21)(H,19,22)
InChIKey PNEAJEIEQDEMJO-UHFFFAOYSA-N
Mol Weight 346.26 g/mol
Molecular Formula C14H13F3N2O5
Exact Mass 346.077656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dy2zhaJ9otH
Name 3-[3-Hydroxyindolinone-3-yl]propionic acid, 2-trifluroacetamido, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.077656011 u
Formula C14H13F3N2O5
InChI InChI=1S/C14H13F3N2O5/c1-24-10(20)9(19-12(22)14(15,16)17)6-13(23)7-4-2-3-5-8(7)18-11(13)21/h2-5,9,23H,6H2,1H3,(H,18,21)(H,19,22)
InChIKey PNEAJEIEQDEMJO-UHFFFAOYSA-N
Molecular Weight 346.262 g/mol
SMILES C12=C(C=CC=C2)C(O)(CC(NC(=O)C(F)(F)F)C(OC)=O)C(N1)=O