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METHYL-2-[2,2-BIS-(METHYLTHIO)-ETHYL]-4(E)-ETHYLIDENE-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL-2-[2,2-BIS-(METHYLTHIO)-ETHYL]-4(E)-ETHYLIDENE-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE
SpectraBase Compound ID 3raHeFBJZT4
InChI InChI=1S/C23H30N2O2S2/c1-6-14-12-25(13-19(28-4)29-5)18-11-16(14)21(23(26)27-3)20-15-9-7-8-10-17(15)24(2)22(18)20/h6-10,16,18-19,21H,11-13H2,1-5H3/b14-6-/t16-,18-,21+/m0/s1
InChIKey QMSNSCKQMBWEOY-WGIVYFCBSA-N
Mol Weight 430.63 g/mol
Molecular Formula C23H30N2O2S2
Exact Mass 430.174871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BuQdtz0bpWd
Name METHYL-2-[2,2-BIS-(METHYLTHIO)-ETHYL]-4(E)-ETHYLIDENE-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE
Compound Number 44
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N2O2S2
InChI InChI=1S/C23H30N2O2S2/c1-6-14-12-25(13-19(28-4)29-5)18-11-16(14)21(23(26)27-3)20-15-9-7-8-10-17(15)24(2)22(18)20/h6-10,16,18-19,21H,11-13H2,1-5H3/b14-6-/t16-,18-,21+/m0/s1
InChIKey QMSNSCKQMBWEOY-WGIVYFCBSA-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 430.623 g/mol
Solvent CDCl3
Source File Reference UWGE1571