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4-(METHOXYCARBONYL)-2,7-DIMETHYL-1,2,5,6-TETRAHYDRO-1,5-METHANOAZOCINO-[4,5-B]-INDOLE-6-SPIRO-2'-(1',3'-DITHIANE)
SpectraBase Compound ID 95WVvpTF1an
InChI InChI=1S/C21H24N2O2S2/c1-22-12-14(20(24)25-3)15-11-17(22)18-13-7-4-5-8-16(13)23(2)19(18)21(15)26-9-6-10-27-21/h4-5,7-8,12,15,17H,6,9-11H2,1-3H3/t15-,17-/m1/s1
InChIKey KTQHVKMQGIFKJQ-NVXWUHKLSA-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 2dLFwqFbojr
Name 4-(METHOXYCARBONYL)-2,7-DIMETHYL-1,2,5,6-TETRAHYDRO-1,5-METHANOAZOCINO-[4,5-B]-INDOLE-6-SPIRO-2'-(1',3'-DITHIANE)
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2O2S2
InChI InChI=1S/C21H24N2O2S2/c1-22-12-14(20(24)25-3)15-11-17(22)18-13-7-4-5-8-16(13)23(2)19(18)21(15)26-9-6-10-27-21/h4-5,7-8,12,15,17H,6,9-11H2,1-3H3/t15-,17-/m1/s1
InChIKey KTQHVKMQGIFKJQ-NVXWUHKLSA-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 UWCS3934