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METHYL-4(E)-ETHYLIDENE-2-(2-HYDROXYMETHYL)-11-(METHOXYCARBONYL)-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
SpectraBase Compound ID XXsr1cnLDW
InChI InChI=1S/C22H26N2O5/c1-4-13-12-23(9-10-25)17-11-15(13)19(21(26)28-2)18-14-7-5-6-8-16(14)24(20(17)18)22(27)29-3/h4-8,15,17,19,25H,9-12H2,1-3H3/b13-4+/t15-,17-,19-/m0/s1
InChIKey PGNXSYPGJGOTPV-SRLHYNLQSA-N
Mol Weight 398.46 g/mol
Molecular Formula C22H26N2O5
Exact Mass 398.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dvqo0maCiyJ
Name METHYL-4(E)-ETHYLIDENE-2-(2-HYDROXYMETHYL)-11-(METHOXYCARBONYL)-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O5
InChI InChI=1S/C22H26N2O5/c1-4-13-12-23(9-10-25)17-11-15(13)19(21(26)28-2)18-14-7-5-6-8-16(14)24(20(17)18)22(27)29-3/h4-8,15,17,19,25H,9-12H2,1-3H3/b13-4+/t15-,17-,19-/m0/s1
InChIKey PGNXSYPGJGOTPV-SRLHYNLQSA-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 398.459 g/mol
Solvent CDCl3
Source File Reference UWGE1543