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METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE

View entire compound with spectra: 2 NMR

METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE
SpectraBase Compound ID JjgIaKONtrr
InChI InChI=1S/C27H30N2O3S/c1-4-18-17-29(14-15-33(31)19-10-6-5-7-11-19)23-16-21(18)25(27(30)32-3)24-20-12-8-9-13-22(20)28(2)26(23)24/h4-13,21,23,25H,14-17H2,1-3H3/b18-4-/t21-,23-,25+,33?/m0/s1
InChIKey DYKFIJJXQZZKKI-VODDVNNBSA-N
Mol Weight 462.61 g/mol
Molecular Formula C27H30N2O3S
Exact Mass 462.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3rhF63oqwl
Name METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE
Compound Number 43A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N2O3S
InChI InChI=1S/C27H30N2O3S/c1-4-18-17-29(14-15-33(31)19-10-6-5-7-11-19)23-16-21(18)25(27(30)32-3)24-20-12-8-9-13-22(20)28(2)26(23)24/h4-13,21,23,25H,14-17H2,1-3H3/b18-4-/t21-,23-,25+,33?/m0/s1
InChIKey DYKFIJJXQZZKKI-VODDVNNBSA-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 462.607 g/mol
Solvent CDCl3