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L-Tyrosine, N,o-bis(3-fluorobenzoyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Tyrosine, N,o-bis(3-fluorobenzoyl)-, methyl ester
SpectraBase Compound ID HYdCziEek0v
InChI InChI=1S/C24H19F2NO5/c1-31-24(30)21(27-22(28)16-4-2-6-18(25)13-16)12-15-8-10-20(11-9-15)32-23(29)17-5-3-7-19(26)14-17/h2-11,13-14,21H,12H2,1H3,(H,27,28)
InChIKey BDTBDTZRJXWVLY-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 JJeXNTrTv5F
Name L-Tyrosine, N,o-bis(3-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)16-4-2-6-18(25)13-16)12-15-8-10-20(11-9-15)32-23(29)17-5-3-7-19(26)14-17/h2-11,13-14,21H,12H2,1H3,(H,27,28)
InChIKey BDTBDTZRJXWVLY-UHFFFAOYSA-N
Molecular Weight 439.415 g/mol
SMILES C1=C(C=CC=C1C(OC1=CC=C(C=C1)CC(C(OC)=O)NC(C1=CC(=CC=C1)F)=O)=O)F