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N-TFA-L-prolyl-alpha-methylalanine butyl ester
SpectraBase Compound ID K2hqbFROTql
InChI InChI=1S/C15H23F3N2O4/c1-4-5-9-24-13(23)14(2,3)19-11(21)10-7-6-8-20(10)12(22)15(16,17)18/h10H,4-9H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKey FRKRAZIVEXDKMK-JTQLQIEISA-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 5IuCyuZeIS
Name N-TFA-L-prolyl-alpha-methylalanine butyl ester
CAS Registry Number 63085-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23F3N2O4
InChI InChI=1S/C15H23F3N2O4/c1-4-5-9-24-13(23)14(2,3)19-11(21)10-7-6-8-20(10)12(22)15(16,17)18/h10H,4-9H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKey FRKRAZIVEXDKMK-JTQLQIEISA-N
Molecular Weight 352.354 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)C(C(=O)OCCCC)(C)C
SPLASH splash10-066u-9400000000-2828e816e9dc29b47d18
Source of Spectrum W5-1989-9645-1
Synonyms Butyl 2-methyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)propanoate N-TFA-L-prolyl-.alpha.-methylalanine butyl ester
Wiley ID 1342986