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SYN,SYN-2-(TRIFLUORACETYL)-AMINO-3-NITROMETHYL-4-PHENYLPENTANOIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID Lq1VjUsACof
InChI InChI=1S/C18H23F3N2O5/c1-11(12-8-6-5-7-9-12)13(10-23(26)27)14(15(24)28-17(2,3)4)22-16(25)18(19,20)21/h5-9,11,13-14H,10H2,1-4H3,(H,22,25)/t11?,13-,14+/m1/s1
InChIKey JJAAMZVDURWXAG-WLPIGLKUSA-N
Mol Weight 404.39 g/mol
Molecular Formula C18H23F3N2O5
Exact Mass 404.155906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmW30YgwX77
Name SYN,SYN-2-(TRIFLUORACETYL)-AMINO-3-NITROMETHYL-4-PHENYLPENTANOIC-ACID-TERT.-BUTYLESTER
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23F3N2O5
InChI InChI=1S/C18H23F3N2O5/c1-11(12-8-6-5-7-9-12)13(10-23(26)27)14(15(24)28-17(2,3)4)22-16(25)18(19,20)21/h5-9,11,13-14H,10H2,1-4H3,(H,22,25)/t11?,13-,14+/m1/s1
InChIKey JJAAMZVDURWXAG-WLPIGLKUSA-N
Literature Reference Author B.MENDLER,U.KAZMAIER
Literature Reference Citation ORG.LETTERS,7,1715(2005)
Literature Reference DOI 10.1021/ol050129j
Molecular Weight 404.386 g/mol
Sample ID 62120
Solvent Unknown