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N-TFA-methyl-L-alanyl-L-alanine
SpectraBase Compound ID 2ubVszEDyQb
InChI InChI=1S/C9H13F3N2O4/c1-4(7(16)14-5(2)8(17)18)13-3-6(15)9(10,11)12/h4-5,13H,3H2,1-2H3,(H,14,16)(H,17,18)/t4-,5-/m0/s1
InChIKey LAXXJDWMLOYXNP-WHFBIAKZSA-N
Mol Weight 270.21 g/mol
Molecular Formula C9H13F3N2O4
Exact Mass 270.082741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ugHumOMzd4
Name N-TFA-methyl-L-alanyl-L-alanine
Alternate Name(s) (2S)-2-({(2S)-2-[(3,3,3-trifluoro-2-oxopropyl)amino]propanoyl}amino)propanoic acid
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Formula C9H13F3N2O4
InChI InChI=1S/C9H13F3N2O4/c1-4(7(16)14-5(2)8(17)18)13-3-6(15)9(10,11)12/h4-5,13H,3H2,1-2H3,(H,14,16)(H,17,18)/t4-,5-/m0/s1
InChIKey LAXXJDWMLOYXNP-WHFBIAKZSA-N
Molecular Weight 270.208 g/mol
SMILES N(CC(C(F)(F)F)=O)[C@](C(N[C@](C(=O)O)(C)[H])=O)(C)[H]
SPLASH splash10-0006-9200000000-4a96793a92e794618c9a
Source of Spectrum KZ-181-478-191
Wiley ID 1273607