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N-Tfa-L-prolylaspartic acid dibutyl ester
SpectraBase Compound ID 3wm3JVoOT6C
InChI InChI=1S/C19H29F3N2O6/c1-3-5-10-29-15(25)12-13(17(27)30-11-6-4-2)23-16(26)14-8-7-9-24(14)18(28)19(20,21)22/h13-14H,3-12H2,1-2H3,(H,23,26)/t13-,14-/m0/s1
InChIKey HOLDXKFQUVHOTO-KBPBESRZSA-N
Mol Weight 438.44 g/mol
Molecular Formula C19H29F3N2O6
Exact Mass 438.197771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gm88kkeDmPr
Name N-Tfa-L-prolylaspartic acid dibutyl ester
Alternate Name(s) dibutyl (2S)-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)butanedioate
CAS Registry Number 63085-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29F3N2O6
InChI InChI=1S/C19H29F3N2O6/c1-3-5-10-29-15(25)12-13(17(27)30-11-6-4-2)23-16(26)14-8-7-9-24(14)18(28)19(20,21)22/h13-14H,3-12H2,1-2H3,(H,23,26)/t13-,14-/m0/s1
InChIKey HOLDXKFQUVHOTO-KBPBESRZSA-N
Molecular Weight 438.444 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@@](CC(=O)OCCCC)(C(=O)OCCCC)[H]
SPLASH splash10-014i-5900000000-847134fd6af4aa273832
Source of Spectrum W5-1989-9624-1
Wiley ID 1384014