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N-TFA-L-prolyl-beta-aminoisobutyric acid butyl ester
SpectraBase Compound ID 6gGHkznHfa9
InChI InChI=1S/C15H23F3N2O4/c1-3-4-8-24-13(23)14(2,9-19)11(21)10-6-5-7-20(10)12(22)15(16,17)18/h10H,3-9,19H2,1-2H3/t10-,14?/m0/s1
InChIKey RTIZMQPHMLHZAL-XLLULAGJSA-N
Mol Weight 352.35 g/mol
Molecular Formula C15H23F3N2O4
Exact Mass 352.160992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1cjN4b6wx2
Name N-TFA-L-prolyl-beta-aminoisobutyric acid butyl ester
Alternate Name(s) Butyl 2-(aminomethyl)-2-methyl-3-oxo-3-[(2S)-1-(trifluoroacetyl)pyrrolidinyl]propanoate N-TFA-L-prolyl-.beta.-aminoisobutyric acid butyl ester
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Formula C15H23F3N2O4
InChI InChI=1S/C15H23F3N2O4/c1-3-4-8-24-13(23)14(2,9-19)11(21)10-6-5-7-20(10)12(22)15(16,17)18/h10H,3-9,19H2,1-2H3/t10-,14?/m0/s1
InChIKey RTIZMQPHMLHZAL-XLLULAGJSA-N
Molecular Weight 352.354 g/mol
SMILES NCC(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)(C(=O)OCCCC)C
SPLASH splash10-014i-5900000000-285f9982f571ad8d980a
Source of Spectrum W5-1989-9642-1
Wiley ID 1342984