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(1S*,7R*,8S*)-[7-HYDROXY-10-(3-PHENYLPROPYL)-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-4-EN-8-YL]-METHYL-2-(TRIFLUOROACETYLAMINO)-BENZOATE
SpectraBase Compound ID EelDfrSr5N
InChI InChI=1S/C32H37F3N2O4/c33-32(34,35)28(39)36-26-15-6-5-14-25(26)27(38)41-23-30-18-10-17-29(16-7-2-8-19-31(29,30)40)21-37(22-30)20-9-13-24-11-3-1-4-12-24/h1-6,8,11-12,14-15,40H,7,9-10,13,16-23H2,(H,36,39)/t29-,30+,31-/m1/s1
InChIKey CAADWJGBNDCMTO-MJSOWUPRSA-N
Mol Weight 570.7 g/mol
Molecular Formula C32H37F3N2O4
Exact Mass 570.270542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ci5KSiZblXB
Name (1S*,7R*,8S*)-[7-HYDROXY-10-(3-PHENYLPROPYL)-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-4-EN-8-YL]-METHYL-2-(TRIFLUOROACETYLAMINO)-BENZOATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H37F3N2O4
InChI InChI=1S/C32H37F3N2O4/c33-32(34,35)28(39)36-26-15-6-5-14-25(26)27(38)41-23-30-18-10-17-29(16-7-2-8-19-31(29,30)40)21-37(22-30)20-9-13-24-11-3-1-4-12-24/h1-6,8,11-12,14-15,40H,7,9-10,13,16-23H2,(H,36,39)/t29-,30+,31-/m1/s1
InChIKey CAADWJGBNDCMTO-MJSOWUPRSA-N
Literature Reference Author A.LEHMANN,C.BROCKE,D.BARKER,M.A.BRIMBLE
Literature Reference Citation EUR.J.ORG.CHEM.,3205(2006)
Molecular Weight 570.652 g/mol
Sample ID 31815
Solvent CDCl3