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5-(METHOXYCARBONYL)-3,11-DIMETHYL-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[4,5-B]-INDOLE-1-SPIRO-2'-(1',3'-DITHIANE)
SpectraBase Compound ID BRa6hmAZ21w
InChI InChI=1S/C21H24N2O2S2/c1-22-12-15(20(24)25-3)14-11-17(22)21(26-9-6-10-27-21)19-18(14)13-7-4-5-8-16(13)23(19)2/h4-5,7-8,12,14,17H,6,9-11H2,1-3H3/t14-,17-/m0/s1
InChIKey IUQRBMFBQKBEFG-YOEHRIQHSA-N
Mol Weight 400.56 g/mol
Molecular Formula C21H24N2O2S2
Exact Mass 400.12792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGxtupIXmOV
Name 5-(METHOXYCARBONYL)-3,11-DIMETHYL-1,2,3,6-TETRAHYDRO-2,6-METHANOAZOCINO-[4,5-B]-INDOLE-1-SPIRO-2'-(1',3'-DITHIANE)
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2O2S2
InChI InChI=1S/C21H24N2O2S2/c1-22-12-15(20(24)25-3)14-11-17(22)21(26-9-6-10-27-21)19-18(14)13-7-4-5-8-16(13)23(19)2/h4-5,7-8,12,14,17H,6,9-11H2,1-3H3/t14-,17-/m0/s1
InChIKey IUQRBMFBQKBEFG-YOEHRIQHSA-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 400.554 g/mol
Solvent CDCl3
Source File Reference UWCS3928