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METHYL-2-[2,2-BIS-(METHYLTHIO)-ETHYL]-4-ALPHA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL-2-[2,2-BIS-(METHYLTHIO)-ETHYL]-4-ALPHA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
SpectraBase Compound ID 9fIs1JYPyMM
InChI InChI=1S/C22H30N2O2S2/c1-5-13-11-24(12-18(27-3)28-4)17-10-15(13)20(22(25)26-2)19-14-8-6-7-9-16(14)23-21(17)19/h6-9,13,15,17-18,20,23H,5,10-12H2,1-4H3/t13-,15+,17+,20+/m1/s1
InChIKey UWKKMJSBQCMNHM-JJUQKUTHSA-N
Mol Weight 418.61 g/mol
Molecular Formula C22H30N2O2S2
Exact Mass 418.174871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C64l26YnxxT
Name METHYL-2-[2,2-BIS-(METHYLTHIO)-ETHYL]-4-ALPHA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N2O2S2
InChI InChI=1S/C22H30N2O2S2/c1-5-13-11-24(12-18(27-3)28-4)17-10-15(13)20(22(25)26-2)19-14-8-6-7-9-16(14)23-21(17)19/h6-9,13,15,17-18,20,23H,5,10-12H2,1-4H3/t13-,15+,17+,20+/m1/s1
InChIKey UWKKMJSBQCMNHM-JJUQKUTHSA-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 418.612 g/mol
Solvent CDCl3
Source File Reference UWGE1563