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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OaKih7KJU
Name N-trifluoroacetyl-tyrosine n-butyl ester
Alternate Name(s) Butyl (2S)-3-(4-hydroxyphenyl)-2-[(trifluoroacetyl)amino]propanoate
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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 N(C(C(F)(F)F)=O)[C@@](Cc1ccc(cc1)O)(C(=O)OCCCC)[H]
SPLASH splash10-0j4i-4192000000-1e8332e22fd49ac9e209
Source of Spectrum KO-2-12-1
Wiley ID 1330108