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METHYL_5-BENZYL-1-ALPHA-(METHOXYCARBONYL)-1,2,5,6-TETRAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-3-(E)-ACRYLATE
SpectraBase Compound ID ecb5L1OAcH
InChI InChI=1S/C27H26N2O4/c1-32-25(30)13-12-20-17-28(16-18-8-4-3-5-9-18)23-15-21(20)26(27(31)33-2)29-22-11-7-6-10-19(22)14-24(23)29/h3-14,17,21,23,26H,15-16H2,1-2H3/b13-12+/t21-,23-,26+/m0/s1
InChIKey UFOPWKJOWZOEKY-HGNKIFECSA-N
Mol Weight 442.52 g/mol
Molecular Formula C27H26N2O4
Exact Mass 442.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wwXuE9elch
Name METHYL_5-BENZYL-1-ALPHA-(METHOXYCARBONYL)-1,2,5,6-TETRAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-3-(E)-ACRYLATE
Compound Number 35B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26N2O4
InChI InChI=1S/C27H26N2O4/c1-32-25(30)13-12-20-17-28(16-18-8-4-3-5-9-18)23-15-21(20)26(27(31)33-2)29-22-11-7-6-10-19(22)14-24(23)29/h3-14,17,21,23,26H,15-16H2,1-2H3/b13-12+/t21-,23-,26+/m0/s1
InChIKey UFOPWKJOWZOEKY-HGNKIFECSA-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 442.514 g/mol
Solvent CDCl3
Source File Reference UWMZ2033