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3-PHENETHYL-8-BETA-[N-(PARA-METHOXYPHENYL)-XANTHEN-9-CARBOXAMIDO]-3-AZABICYClO-[3.2.1]-OCTANE
SpectraBase Compound ID 5rjwPufU4sj
InChI InChI=1S/C36H36N2O3/c1-40-29-19-17-28(18-20-29)38(35-26-15-16-27(35)24-37(23-26)22-21-25-9-3-2-4-10-25)36(39)34-30-11-5-7-13-32(30)41-33-14-8-6-12-31(33)34/h2-14,17-20,26-27,34-35H,15-16,21-24H2,1H3/t26-,27+,35+
InChIKey VCXCNEQHIQAEOI-BMKZJLTLSA-N
Mol Weight 544.7 g/mol
Molecular Formula C36H36N2O3
Exact Mass 544.272593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbcrutvYQjJ
Name 3-PHENETHYL-8-BETA-[N-(PARA-METHOXYPHENYL)-XANTHEN-9-CARBOXAMIDO]-3-AZABICYClO-[3.2.1]-OCTANE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36N2O3
InChI InChI=1S/C36H36N2O3/c1-40-29-19-17-28(18-20-29)38(35-26-15-16-27(35)24-37(23-26)22-21-25-9-3-2-4-10-25)36(39)34-30-11-5-7-13-32(30)41-33-14-8-6-12-31(33)34/h2-14,17-20,26-27,34-35H,15-16,21-24H2,1H3/t26-,27+,35+
InChIKey VCXCNEQHIQAEOI-BMKZJLTLSA-N
Literature Reference Author B.RICO,E.GALVEZ,M.L.IZQUIERDO,M.S.ARIAS,A.ORJALES,A.BERISA,L .LABEAGA
Literature Reference Citation J.HETCYCL.CHEM.,31,313(1994)
Literature Reference DOI 10.1002/jhet.5570310209
Molecular Weight 544.693 g/mol
Solvent CDCl3
Source File Reference UWCS19181