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N-Tfa-L-prolyl-tert-leucine butyl ester
SpectraBase Compound ID IMrOGzJZIJm
InChI InChI=1S/C17H27F3N2O4/c1-5-6-10-26-14(24)12(16(2,3)4)21-13(23)11-8-7-9-22(11)15(25)17(18,19)20/h11-12H,5-10H2,1-4H3,(H,21,23)/t11-,12+/m0/s1
InChIKey IJVFSNPKQHJJRY-NWDGAFQWSA-N
Mol Weight 380.41 g/mol
Molecular Formula C17H27F3N2O4
Exact Mass 380.192292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GZc6UuWbJl
Name N-Tfa-L-prolyl-tert-leucine butyl ester
CAS Registry Number 63085-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27F3N2O4
InChI InChI=1S/C17H27F3N2O4/c1-5-6-10-26-14(24)12(16(2,3)4)21-13(23)11-8-7-9-22(11)15(25)17(18,19)20/h11-12H,5-10H2,1-4H3,(H,21,23)/t11-,12+/m0/s1
InChIKey IJVFSNPKQHJJRY-NWDGAFQWSA-N
Molecular Weight 380.408 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OCCCC)(C(C)(C)C)[H]
SPLASH splash10-016r-9731000000-e2f11a0a2bfe70742d8f
Source of Spectrum W5-1989-9618-1
Synonyms Butyl (2S)-3,3-dimethyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)butanoate
Wiley ID 1359545