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l-Tyrosine, N,o-bis(2-trifluoromethylbenzoyl)-, methyl ester
SpectraBase Compound ID MBWl0ynP6H
InChI InChI=1S/C26H19F6NO5/c1-37-24(36)21(33-22(34)17-6-2-4-8-19(17)25(27,28)29)14-15-10-12-16(13-11-15)38-23(35)18-7-3-5-9-20(18)26(30,31)32/h2-13,21H,14H2,1H3,(H,33,34)
InChIKey MTXLVTBNDCFFIM-UHFFFAOYSA-N
Mol Weight 539.43 g/mol
Molecular Formula C26H19F6NO5
Exact Mass 539.116742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjnLApc6Wcm
Name l-Tyrosine, N,o-bis(2-trifluoromethylbenzoyl)-, methyl ester
Alternate Name(s) 2-(trifluoromethyl)benzoic acid [4-[3-methoxy-3-oxo-2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]propyl]phenyl] ester [4-[3-methoxy-3-oxo-2-[[2-(trifluoromethyl)benzoyl]amino]propyl]phenyl] 2-(trifluoromethyl)benzoate [4-[3-methoxy-3-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]carbonylamino]propyl]phenyl] 2-(trifluoromethyl)benzoate
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Formula C26H19F6NO5
InChI InChI=1S/C26H19F6NO5/c1-37-24(36)21(33-22(34)17-6-2-4-8-19(17)25(27,28)29)14-15-10-12-16(13-11-15)38-23(35)18-7-3-5-9-20(18)26(30,31)32/h2-13,21H,14H2,1H3,(H,33,34)
InChIKey MTXLVTBNDCFFIM-UHFFFAOYSA-N
Molecular Weight 539.430 g/mol
SMILES N(C(Cc1ccc(OC(c2c(cccc2)C(F)(F)F)=O)cc1)C(OC)=O)C(c1c(C(F)(F)F)cccc1)=O
SPLASH splash10-00di-0901000000-1faddaf04bf87818ff19
Source of Spectrum NP-15-9122-0
Wiley ID 1112984