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METHYL_5-BENZYL-3-(E)-ETHYLIDENE-7-(2-HYDROXYETHYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE

View entire compound with spectra: 2 NMR

METHYL_5-BENZYL-3-(E)-ETHYLIDENE-7-(2-HYDROXYETHYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
SpectraBase Compound ID GdHAai91lvN
InChI InChI=1S/C27H30N2O3/c1-3-19-17-28(16-18-9-5-4-6-10-18)24-15-22(19)26(27(31)32-2)29-23-12-8-7-11-20(23)21(13-14-30)25(24)29/h3-12,22,24,26,30H,13-17H2,1-2H3/b19-3+/t22-,24-,26+/m0/s1
InChIKey OLSQRYKFGDQCHS-HOIXHGMLSA-N
Mol Weight 430.55 g/mol
Molecular Formula C27H30N2O3
Exact Mass 430.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBS4r0fQhPj
Name METHYL_5-BENZYL-3-(E)-ETHYLIDENE-7-(2-HYDROXYETHYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE
Compound Number 25A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N2O3
InChI InChI=1S/C27H30N2O3/c1-3-19-17-28(16-18-9-5-4-6-10-18)24-15-22(19)26(27(31)32-2)29-23-12-8-7-11-20(23)21(13-14-30)25(24)29/h3-12,22,24,26,30H,13-17H2,1-2H3/b19-3+/t22-,24-,26+/m0/s1
InChIKey OLSQRYKFGDQCHS-HOIXHGMLSA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,J.M.JIMENEZ,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,58,7756(1993)
Literature Reference DOI 10.1021/jo00079a021
Molecular Weight 430.547 g/mol
Solvent CDCl3
Source File Reference UWMZ2020