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N-TFA-L-prolyl-beta-alanine butyl ester
SpectraBase Compound ID 7rqwCBbdnKW
InChI InChI=1S/C14H21F3N2O4/c1-2-3-9-23-11(20)6-7-18-12(21)10-5-4-8-19(10)13(22)14(15,16)17/h10H,2-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKey WTAKXHWETGPMPI-JTQLQIEISA-N
Mol Weight 338.33 g/mol
Molecular Formula C14H21F3N2O4
Exact Mass 338.145342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2h8z0aAXx2
Name N-TFA-L-prolyl-beta-alanine butyl ester
CAS Registry Number 63085-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21F3N2O4
InChI InChI=1S/C14H21F3N2O4/c1-2-3-9-23-11(20)6-7-18-12(21)10-5-4-8-19(10)13(22)14(15,16)17/h10H,2-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKey WTAKXHWETGPMPI-JTQLQIEISA-N
Molecular Weight 338.327 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)CCC(=O)OCCCC
SPLASH splash10-014i-5900000000-5568ce59b44371ebba68
Source of Spectrum W5-1989-9640-1
Synonyms Butyl 3-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)propanoate N-TFA-L-prolyl-.beta.-alanine butyl ester
Wiley ID 1333439