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N-Tfa-l-prolylvaline butyl ester
SpectraBase Compound ID BGqCDzl9g79
InChI InChI=1S/C16H25F3N2O4/c1-4-5-9-25-14(23)12(10(2)3)20-13(22)11-7-6-8-21(11)15(24)16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,22)/t11-,12-/m0/s1
InChIKey NGBPQBQYUXCIBR-RYUDHWBXSA-N
Mol Weight 366.38 g/mol
Molecular Formula C16H25F3N2O4
Exact Mass 366.176642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nF9o34iboP
Name N-Tfa-l-prolylvaline butyl ester
Alternate Name(s) Butyl (2S)-3-methyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)butanoate
CAS Registry Number 53752-06-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25F3N2O4
InChI InChI=1S/C16H25F3N2O4/c1-4-5-9-25-14(23)12(10(2)3)20-13(22)11-7-6-8-21(11)15(24)16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,22)/t11-,12-/m0/s1
InChIKey NGBPQBQYUXCIBR-RYUDHWBXSA-N
Molecular Weight 366.381 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OCCCC)(C(C)C)[H]
SPLASH splash10-014i-8920000000-65b9fa6bbe503c3218df
Source of Spectrum W5-1989-9610-1
Wiley ID 1351720