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N-TFA-methyl-L-phenylalanyl-L-alanine
SpectraBase Compound ID KpawTyNxCuS
InChI InChI=1S/C15H17F3N2O4/c1-9(14(23)24)20-13(22)11(7-10-5-3-2-4-6-10)19-8-12(21)15(16,17)18/h2-6,9,11,19H,7-8H2,1H3,(H,20,22)(H,23,24)/t9-,11-/m0/s1
InChIKey DTCIRTAURVLJJU-ONGXEEELSA-N
Mol Weight 346.31 g/mol
Molecular Formula C15H17F3N2O4
Exact Mass 346.114042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKBlMci60vq
Name N-TFA-methyl-L-phenylalanyl-L-alanine
Alternate Name(s) (2S)-2-({(2S)-3-phenyl-2-[(3,3,3-trifluoro-2-oxopropyl)amino]propanoyl}amino)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17F3N2O4
InChI InChI=1S/C15H17F3N2O4/c1-9(14(23)24)20-13(22)11(7-10-5-3-2-4-6-10)19-8-12(21)15(16,17)18/h2-6,9,11,19H,7-8H2,1H3,(H,20,22)(H,23,24)/t9-,11-/m0/s1
InChIKey DTCIRTAURVLJJU-ONGXEEELSA-N
Molecular Weight 346.306 g/mol
SMILES N([C@](C(N[C@](C(=O)O)(C)[H])=O)(Cc1ccccc1)[H])CC(C(F)(F)F)=O
SPLASH splash10-007o-7930000000-1dcade4d6a4da068e549
Source of Spectrum KZ-181-476-17
Wiley ID 1338962