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N-Tfa-L-prolylglutamic acid dibutyl ester
SpectraBase Compound ID GFly7wy89EP
InChI InChI=1S/C20H31F3N2O6/c1-3-5-12-30-16(26)10-9-14(18(28)31-13-6-4-2)24-17(27)15-8-7-11-25(15)19(29)20(21,22)23/h14-15H,3-13H2,1-2H3,(H,24,27)/t14-,15-/m0/s1
InChIKey GGNYRZWLZVBSTL-GJZGRUSLSA-N
Mol Weight 452.47 g/mol
Molecular Formula C20H31F3N2O6
Exact Mass 452.213421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDrO0x43wIO
Name N-Tfa-L-prolylglutamic acid dibutyl ester
CAS Registry Number 63085-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31F3N2O6
InChI InChI=1S/C20H31F3N2O6/c1-3-5-12-30-16(26)10-9-14(18(28)31-13-6-4-2)24-17(27)15-8-7-11-25(15)19(29)20(21,22)23/h14-15H,3-13H2,1-2H3,(H,24,27)/t14-,15-/m0/s1
InChIKey GGNYRZWLZVBSTL-GJZGRUSLSA-N
Molecular Weight 452.471 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OCCCC)(CCC(=O)OCCCC)[H]
SPLASH splash10-014i-7900000000-d3c5d56e71436bf95798
Source of Spectrum W5-1989-9625-1
Synonyms dibutyl (2S)-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)pentanedioate
Wiley ID 1388167