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Methyl 2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)-S-phenylalaniinate isomer
SpectraBase Compound ID JTvgb8kCBHJ
InChI InChI=1S/C16H19F3N2O5/c1-25-13(23)11(8-10-6-4-3-5-7-10)21-12(22)9-15(20,14(24)26-2)16(17,18)19/h3-7,11H,8-9,20H2,1-2H3,(H,21,22)/t11-,15?/m0/s1
InChIKey HIPRXGUBLRKNSN-VPHXOMNUSA-N
Mol Weight 376.33 g/mol
Molecular Formula C16H19F3N2O5
Exact Mass 376.124606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgTE4FJiSMw
Name Methyl 2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)-S-phenylalaniinate isomer
Alternate Name(s) Methyl 2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)-S-phenylalaninate isomer Methyl[2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)]-S-phenylalaninate isomer
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Formula C16H19F3N2O5
InChI InChI=1S/C16H19F3N2O5/c1-25-13(23)11(8-10-6-4-3-5-7-10)21-12(22)9-15(20,14(24)26-2)16(17,18)19/h3-7,11H,8-9,20H2,1-2H3,(H,21,22)/t11-,15?/m0/s1
InChIKey HIPRXGUBLRKNSN-VPHXOMNUSA-N
Molecular Weight 376.332 g/mol
SMILES N(C(CC(C(F)(F)F)(C(=O)OC)N)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0006-3901000000-51b3e85f7df1cf19840e
Source of Spectrum KC-1992-273-20
Wiley ID 775999