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METHYL-2-(2-ACETOXYETHYL)-11-METHYL-6-BETA-(METHOXYCARBONYL)-1,2,5,6-TETRAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-4(E)-ACRYLATE
SpectraBase Compound ID BFxTw9EnlXy
InChI InChI=1S/C25H28N2O6/c1-15(28)33-12-11-27-14-16(9-10-21(29)31-3)18-13-20(27)24-22(23(18)25(30)32-4)17-7-5-6-8-19(17)26(24)2/h5-10,14,18,20,23H,11-13H2,1-4H3/b10-9+/t18-,20-,23-/m0/s1
InChIKey NFGIUBVQEPFZOV-KFOYUSHYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlpsRb0hXCP
Name METHYL-2-(2-ACETOXYETHYL)-11-METHYL-6-BETA-(METHOXYCARBONYL)-1,2,5,6-TETRAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-4(E)-ACRYLATE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-15(28)33-12-11-27-14-16(9-10-21(29)31-3)18-13-20(27)24-22(23(18)25(30)32-4)17-7-5-6-8-19(17)26(24)2/h5-10,14,18,20,23H,11-13H2,1-4H3/b10-9+/t18-,20-,23-/m0/s1
InChIKey NFGIUBVQEPFZOV-KFOYUSHYSA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,A.RAMIREZ,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,61,1239(1996)
Literature Reference DOI 10.1021/jo951456f
Molecular Weight 452.507 g/mol
Solvent CDCl3
Source File Reference UWGE1532