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(3S,8R,10S,13S)-3-AMINO-1,11-DIAZA-8,10-CARBOXY-2,12-OXOBICYCLO-[13.3.0]-HEXADECANE-TRIFLUOROACETATE-SALT
SpectraBase Compound ID JMDcUOBfKim
InChI InChI=1S/C18H24F3N3O8/c19-18(20,21)17(31)32-23-10-5-2-1-4-9(15(27)28)8-11(16(29)30)22-13(25)12-6-3-7-24(12)14(10)26/h9-12,23H,1-8H2,(H,22,25)(H,27,28)(H,29,30)/t9-,10-,11-,12-/m0/s1
InChIKey DPLGYWJVGCSEHE-BJDJZHNGSA-N
Mol Weight 467.4 g/mol
Molecular Formula C18H24F3N3O8
Exact Mass 467.151549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJeS3CvSvFy
Name (3S,8R,10S,13S)-3-AMINO-1,11-DIAZA-8,10-CARBOXY-2,12-OXOBICYCLO-[13.3.0]-HEXADECANE-TRIFLUOROACETATE-SALT
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24F3N3O8
InChI InChI=1S/C18H24F3N3O8/c19-18(20,21)17(31)32-23-10-5-2-1-4-9(15(27)28)8-11(16(29)30)22-13(25)12-6-3-7-24(12)14(10)26/h9-12,23H,1-8H2,(H,22,25)(H,27,28)(H,29,30)/t9-,10-,11-,12-/m0/s1
InChIKey DPLGYWJVGCSEHE-BJDJZHNGSA-N
Literature Reference Author P.W.R.HARRIS,M.A.BRIMBLE,P.D.GLUCKMAN
Literature Reference Citation ORG.LETTERS,5,1847(2003)
Literature Reference DOI 10.1021/ol034370e
Molecular Weight 467.399 g/mol
Sample ID 33859
Solvent D2O