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L-Tyrosine, N,o-bis(2,6-difluorobenzoyl)-, methyl ester
SpectraBase Compound ID 4SMkSMFQEMz
InChI InChI=1S/C24H17F4NO5/c1-33-23(31)19(29-22(30)20-15(25)4-2-5-16(20)26)12-13-8-10-14(11-9-13)34-24(32)21-17(27)6-3-7-18(21)28/h2-11,19H,12H2,1H3,(H,29,30)
InChIKey OEONJOSRYODGNS-UHFFFAOYSA-N
Mol Weight 475.4 g/mol
Molecular Formula C24H17F4NO5
Exact Mass 475.104285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mhMVTtONyU
Name L-Tyrosine, N,o-bis(2,6-difluorobenzoyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.104285298 u
Formula C24H17F4NO5
InChI InChI=1S/C24H17F4NO5/c1-33-23(31)19(29-22(30)20-15(25)4-2-5-16(20)26)12-13-8-10-14(11-9-13)34-24(32)21-17(27)6-3-7-18(21)28/h2-11,19H,12H2,1H3,(H,29,30)
InChIKey OEONJOSRYODGNS-UHFFFAOYSA-N
Molecular Weight 475.396 g/mol
SMILES C1=CC=C(C(=C1F)C(OC1=CC=C(C=C1)CC(C(OC)=O)NC(C1=C(C=CC=C1F)F)=O)=O)F