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METHYL-4(E)-ETHYLIDENE-12-(PHENYLTHIO)-2,11-ETHANO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL-4(E)-ETHYLIDENE-12-(PHENYLTHIO)-2,11-ETHANO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
SpectraBase Compound ID 3GwTJa2dIRr
InChI InChI=1S/C26H26N2O2S/c1-3-16-14-27-15-22(31-17-9-5-4-6-10-17)28-20-12-8-7-11-18(20)23-24(26(29)30-2)19(16)13-21(27)25(23)28/h3-12,19,21-22,24H,13-15H2,1-2H3/b16-3+/t19-,21-,22?,24-/m0/s1
InChIKey RGSJGGCJEWQDEX-JDIXRVQHSA-N
Mol Weight 430.57 g/mol
Molecular Formula C26H26N2O2S
Exact Mass 430.171499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HYkU7iawgj
Name METHYL-4(E)-ETHYLIDENE-12-(PHENYLTHIO)-2,11-ETHANO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26N2O2S
InChI InChI=1S/C26H26N2O2S/c1-3-16-14-27-15-22(31-17-9-5-4-6-10-17)28-20-12-8-7-11-18(20)23-24(26(29)30-2)19(16)13-21(27)25(23)28/h3-12,19,21-22,24H,13-15H2,1-2H3/b16-3+/t19-,21-,22?,24-/m0/s1
InChIKey RGSJGGCJEWQDEX-JDIXRVQHSA-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 430.565 g/mol
Solvent CDCl3
Source File Reference UWGE1552