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N.beta.-Benzyl-N.alpha.-benzyloxycarbonyl-N.beta.-phenyl-2-trifluoromethyl-asparagine methyl ester
SpectraBase Compound ID IdtlQnLfJ2s
InChI InChI=1S/C27H25F3N2O5/c1-36-24(34)26(27(28,29)30,31-25(35)37-19-21-13-7-3-8-14-21)17-23(33)32(22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-16H,17-19H2,1H3,(H,31,35)
InChIKey IIOVFZRCLZUUSO-UHFFFAOYSA-N
Mol Weight 514.5 g/mol
Molecular Formula C27H25F3N2O5
Exact Mass 514.171556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnQULHXOO8U
Name Methyl N(.beta.)-benzyl-N(.alpha.)-benzyloxycarbonyl-N(.beta.)-phenyl-2-trifluoromethylasparaginate
Alternate Name(s) Methyl 4-(benzylanilino)-2-{[(benzyloxy)carbonyl]amino}-4-oxo-2-(trifluoromethyl)butanoate
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Formula C27H25F3N2O5
InChI InChI=1S/C27H25F3N2O5/c1-36-24(34)26(27(28,29)30,31-25(35)37-19-21-13-7-3-8-14-21)17-23(33)32(22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-16H,17-19H2,1H3,(H,31,35)
InChIKey IIOVFZRCLZUUSO-UHFFFAOYSA-N
Molecular Weight 514.501 g/mol
SMILES N(C(CC(N(Cc1ccccc1)c1ccccc1)=O)(C(F)(F)F)C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-052f-9410200000-93b22f772bfb3752498e
Source of Spectrum KC-1992-271-14
Wiley ID 776008