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N-Tfa-L-prolylalanine butyl ester
SpectraBase Compound ID DnmE6LqymJB
InChI InChI=1S/C14H21F3N2O4/c1-3-4-8-23-12(21)9(2)18-11(20)10-6-5-7-19(10)13(22)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,20)/t9-,10-/m0/s1
InChIKey AXBHIEFIEHIXAK-UWVGGRQHSA-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 7Vmfdyh5JXm
Name N-Tfa-L-prolylalanine butyl ester
Alternate Name(s) Butyl (2S)-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)propanoate
CAS Registry Number 53751-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21F3N2O4
InChI InChI=1S/C14H21F3N2O4/c1-3-4-8-23-12(21)9(2)18-11(20)10-6-5-7-19(10)13(22)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,20)/t9-,10-/m0/s1
InChIKey AXBHIEFIEHIXAK-UWVGGRQHSA-N
Molecular Weight 338.327 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OCCCC)(C)[H]
SPLASH splash10-014i-3900000000-c6b6bd9b0b6ecf27882a
Source of Spectrum W5-1989-9614-1
Wiley ID 1333440