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N-trifluoroacetyl-tyrosine n-butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-trifluoroacetyl-tyrosine n-butyl ester
SpectraBase Compound ID 1Ne9gOKuQ9N
InChI InChI=1S/C15H18F3NO4/c1-2-3-8-23-13(21)12(19-14(22)15(16,17)18)9-10-4-6-11(20)7-5-10/h4-7,12,20H,2-3,8-9H2,1H3,(H,19,22)/t12-/m0/s1
InChIKey JZPMPZIOEUNMQK-LBPRGKRZSA-N
Mol Weight 333.31 g/mol
Molecular Formula C15H18F3NO4
Exact Mass 333.118793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67jj8gv1VN4
Name N-Trifluoroacetyl-tyrosine N-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.118792549 u
Formula C15H18F3NO4
InChI InChI=1S/C15H18F3NO4/c1-2-3-8-23-13(21)12(19-14(22)15(16,17)18)9-10-4-6-11(20)7-5-10/h4-7,12,20H,2-3,8-9H2,1H3,(H,19,22)/t12-/m0/s1
InChIKey JZPMPZIOEUNMQK-LBPRGKRZSA-N
Molecular Weight 333.307 g/mol
SMILES C(C(N[C@](C(=O)OCCCC)(CC1=CC=C(C=C1)O)[H])=O)(F)(F)F