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

View entire compound with spectra: 1 NMR

METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-11-(METHOXYCARBONYL)-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLA
SpectraBase Compound ID 99q2eharNGu
InChI InChI=1S/C28H30N2O5S/c1-4-18-17-29(14-15-36(33)19-10-6-5-7-11-19)23-16-21(18)25(27(31)34-2)24-20-12-8-9-13-22(20)30(26(23)24)28(32)35-3/h4-13,21,23,25H,14-17H2,1-3H3/b18-4+/t21-,23-,25-,36?/m0/s1
InChIKey BSYJBGBSJIICDJ-DWOKYWNUSA-N
Mol Weight 506.62 g/mol
Molecular Formula C28H30N2O5S
Exact Mass 506.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID El6XHDgjS1I
Name METHYL-4(E)-ETHYLIDENE-2-[2-(PHENYLSULFINYL)-ETHYL]-11-(METHOXYCARBONYL)-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLA
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N2O5S
InChI InChI=1S/C28H30N2O5S/c1-4-18-17-29(14-15-36(33)19-10-6-5-7-11-19)23-16-21(18)25(27(31)34-2)24-20-12-8-9-13-22(20)30(26(23)24)28(32)35-3/h4-13,21,23,25H,14-17H2,1-3H3/b18-4+/t21-,23-,25-,36?/m0/s1
InChIKey BSYJBGBSJIICDJ-DWOKYWNUSA-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 506.617 g/mol
Solvent CDCl3
Source File Reference UWGE1551