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L-Tyrosine, N,o-bis(2-fluorobenzoyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Tyrosine, N,o-bis(2-fluorobenzoyl)-, methyl ester
SpectraBase Compound ID 5Ewd85n5Vz7
InChI InChI=1S/C24H19F2NO5/c1-31-24(30)21(27-22(28)17-6-2-4-8-19(17)25)14-15-10-12-16(13-11-15)32-23(29)18-7-3-5-9-20(18)26/h2-13,21H,14H2,1H3,(H,27,28)
InChIKey ZSMLNQICLIJQEI-UHFFFAOYSA-N
Mol Weight 439.41 g/mol
Molecular Formula C24H19F2NO5
Exact Mass 439.123129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ctJcOkVNtt
Name L-Tyrosine, N,o-bis(2-fluorobenzoyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.123129037 u
Formula C24H19F2NO5
InChI InChI=1S/C24H19F2NO5/c1-31-24(30)21(27-22(28)17-6-2-4-8-19(17)25)14-15-10-12-16(13-11-15)32-23(29)18-7-3-5-9-20(18)26/h2-13,21H,14H2,1H3,(H,27,28)
InChIKey ZSMLNQICLIJQEI-UHFFFAOYSA-N
Molecular Weight 439.415 g/mol
SMILES C1=CC=C(C(=C1)F)C(OC1=CC=C(C=C1)CC(C(OC)=O)NC(C1=CC=CC=C1F)=O)=O