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METHYL_5-[2,2-BIS-(METHYLTHIO)-ETHYL]-3-BETA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE

View entire compound with spectra: 2 NMR

METHYL_5-[2,2-BIS-(METHYLTHIO)-ETHYL]-3-BETA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
SpectraBase Compound ID LBoLraeR0Sn
InChI InChI=1S/C22H30N2O2S2/c1-5-14-12-23(13-20(27-3)28-4)18-11-16(14)21(22(25)26-2)24-17-9-7-6-8-15(17)10-19(18)24/h6-10,14,16,18,20-21H,5,11-13H2,1-4H3/t14-,16-,18-,21+/m0/s1
InChIKey KDPUOJWUCYCCPA-YZZRYBLGSA-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 K2xUULfiZwA
Name METHYL_5-[2,2-BIS-(METHYLTHIO)-ETHYL]-3-BETA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N2O2S2
InChI InChI=1S/C22H30N2O2S2/c1-5-14-12-23(13-20(27-3)28-4)18-11-16(14)21(22(25)26-2)24-17-9-7-6-8-15(17)10-19(18)24/h6-10,14,16,18,20-21H,5,11-13H2,1-4H3/t14-,16-,18-,21+/m0/s1
InChIKey KDPUOJWUCYCCPA-YZZRYBLGSA-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 418.612 g/mol
Solvent CDCl3
Source File Reference UWMZ2009