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L-Tyrosine, N-pentafluoropropionyl-N,o-dimethyl-, ethyl ester

View entire compound with spectra: 1 NMR

L-Tyrosine, N-pentafluoropropionyl-N,o-dimethyl-, ethyl ester
SpectraBase Compound ID Dc98nb7giaA
InChI InChI=1S/C16H18F5NO4/c1-4-26-13(23)12(9-10-5-7-11(25-3)8-6-10)22(2)14(24)15(17,18)16(19,20)21/h5-8,12H,4,9H2,1-3H3
InChIKey ZZWZHKSGWJNNNB-UHFFFAOYSA-N
Mol Weight 383.32 g/mol
Molecular Formula C16H18F5NO4
Exact Mass 383.115599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ttXDU4lXgR
Name L-Tyrosine, N-pentafluoropropionyl-N,o-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.115598875 u
Formula C16H18F5NO4
InChI InChI=1S/C16H18F5NO4/c1-4-26-13(23)12(9-10-5-7-11(25-3)8-6-10)22(2)14(24)15(17,18)16(19,20)21/h5-8,12H,4,9H2,1-3H3
InChIKey ZZWZHKSGWJNNNB-UHFFFAOYSA-N
Molecular Weight 383.315 g/mol
SMILES C1(=CC=C(C=C1)OC)CC(C(=O)OCC)N(C(C(C(F)(F)F)(F)F)=O)C