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N1-(2-AMINOETHYL)-3,4-DI-(OLEYLOXY)-BENZAMIDE
SpectraBase Compound ID 63miCB5xAi2
InChI InChI=1S/C45H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-49-43-36-35-42(45(48)47-38-37-46)41-44(43)50-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-36,41H,3-16,21-34,37-40,46H2,1-2H3,(H,47,48)/b19-17-,20-18-
InChIKey FUYILVWPQRMCBL-CLFAGFIQSA-N
Mol Weight 697.1 g/mol
Molecular Formula C45H80N2O3
Exact Mass 696.616894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 632PkmnCXxq
Name N1-(2-AMINOETHYL)-3,4-DI-(OLEYLOXY)-BENZAMIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H80N2O3
InChI InChI=1S/C45H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-49-43-36-35-42(45(48)47-38-37-46)41-44(43)50-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-36,41H,3-16,21-34,37-40,46H2,1-2H3,(H,47,48)/b19-17-,20-18-
InChIKey FUYILVWPQRMCBL-CLFAGFIQSA-N
Literature Reference Author K.EWERT,A.AHMAD,H.M.EVANS,H.W.SCHMIDT,C.R.SAFINYA
Literature Reference Citation J.MED.CHEM.,45,5023(2002)
Literature Reference DOI 10.1021/jm020233w
Molecular Weight 697.142 g/mol
Sample ID 65151
Solvent CDCl3