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5-(METHOXYCARBONYL)-3,11-DIMETHYL-1,1-[BIS-(METHYLTHIO)]-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[4,5-B]-INDOLE
SpectraBase Compound ID 2QKiXuT6wMP
InChI InChI=1S/C20H24N2O2S2/c1-21-11-14(19(23)24-3)13-10-16(21)20(25-4,26-5)18-17(13)12-8-6-7-9-15(12)22(18)2/h6-9,11,13,16H,10H2,1-5H3/t13-,16-/m1/s1
InChIKey XUSOFTUTCZUHNX-CZUORRHYSA-N
Mol Weight 388.54 g/mol
Molecular Formula C20H24N2O2S2
Exact Mass 388.12792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYZZg4S1bRh
Name 5-(METHOXYCARBONYL)-3,11-DIMETHYL-1,1-[BIS-(METHYLTHIO)]-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[4,5-B]-INDOLE
Compound Number 10J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24N2O2S2
InChI InChI=1S/C20H24N2O2S2/c1-21-11-14(19(23)24-3)13-10-16(21)20(25-4,26-5)18-17(13)12-8-6-7-9-15(12)22(18)2/h6-9,11,13,16H,10H2,1-5H3/t13-,16-/m1/s1
InChIKey XUSOFTUTCZUHNX-CZUORRHYSA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,57,2835(1992)
Literature Reference DOI 10.1021/jo00036a015
Molecular Weight 388.543 g/mol
Solvent CDCl3
Source File Reference UWCS3933