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3-PHENETHYL-8-BETA-[N-(PARA-TOLYL)-XANTHEN-9-CARBOXAMIDO]-3-AZABICYClO-[3.2.1]-OCTANE
SpectraBase Compound ID KC1vTS4OwYf
InChI InChI=1S/C36H36N2O2/c1-25-15-19-29(20-16-25)38(35-27-17-18-28(35)24-37(23-27)22-21-26-9-3-2-4-10-26)36(39)34-30-11-5-7-13-32(30)40-33-14-8-6-12-31(33)34/h2-16,19-20,27-28,34-35H,17-18,21-24H2,1H3/t27-,28+,35+
InChIKey RVCRXWQTFFJZKC-TVKBGMCXSA-N
Mol Weight 528.7 g/mol
Molecular Formula C36H36N2O2
Exact Mass 528.277678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8g0HIQQYAdk
Name 3-PHENETHYL-8-BETA-[N-(PARA-TOLYL)-XANTHEN-9-CARBOXAMIDO]-3-AZABICYClO-[3.2.1]-OCTANE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36N2O2
InChI InChI=1S/C36H36N2O2/c1-25-15-19-29(20-16-25)38(35-27-17-18-28(35)24-37(23-27)22-21-26-9-3-2-4-10-26)36(39)34-30-11-5-7-13-32(30)40-33-14-8-6-12-31(33)34/h2-16,19-20,27-28,34-35H,17-18,21-24H2,1H3/t27-,28+,35+
InChIKey RVCRXWQTFFJZKC-TVKBGMCXSA-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 528.694 g/mol
Solvent CDCl3
Source File Reference UWCS19180