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[METHYL_3-(E)-ETHYLIDENE-7-(2-CHLOROETHYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE]-N-SULFONAMIDE

View entire compound with spectra: 1 NMR

[METHYL_3-(E)-ETHYLIDENE-7-(2-CHLOROETHYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE]-N-SULFONAMIDE
SpectraBase Compound ID Jf3AyWIsjDs
InChI InChI=1S/C21H25ClN2O4S/c1-4-13-12-23(29(3,26)27)18-11-16(13)20(21(25)28-2)24-17-8-6-5-7-14(17)15(9-10-22)19(18)24/h4-8,16,18,20H,9-12H2,1-3H3/b13-4+/t16-,18-,20+/m0/s1
InChIKey QYYNKSIUYSRAAX-BOHMLJOESA-N
Mol Weight 436.95 g/mol
Molecular Formula C21H25ClN2O4S
Exact Mass 436.122356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49StijZdEtS
Name [METHYL_3-(E)-ETHYLIDENE-7-(2-CHLOROETHYL)-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-BETA-CARBOXYLATE]-N-SULFONAMIDE
Compound Number 29A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClN2O4S
InChI InChI=1S/C21H25ClN2O4S/c1-4-13-12-23(29(3,26)27)18-11-16(13)20(21(25)28-2)24-17-8-6-5-7-14(17)15(9-10-22)19(18)24/h4-8,16,18,20H,9-12H2,1-3H3/b13-4+/t16-,18-,20+/m0/s1
InChIKey QYYNKSIUYSRAAX-BOHMLJOESA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,J.M.JIMENEZ,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,58,7756(1993)
Literature Reference DOI 10.1021/jo00079a021
Molecular Weight 436.954 g/mol
Solvent CDCl3
Source File Reference UWMZ2024