John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EU4tUMyrARm SpectraBase Spectrum ID=28OgZLNo7g5

(accessed ).
METHYL-2-(2-CYANOETHYL)-11-METHYL-4(E)-ETHYLIDENE-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE
SpectraBase Compound ID EU4tUMyrARm
InChI InChI=1S/C22H25N3O2/c1-4-14-13-25(11-7-10-23)18-12-16(14)20(22(26)27-3)19-15-8-5-6-9-17(15)24(2)21(18)19/h4-6,8-9,16,18,20H,7,11-13H2,1-3H3/b14-4-/t16-,18-,20+/m0/s1
InChIKey CXHCPABNMVJMMY-SMTMISFBSA-N
Mol Weight 363.46 g/mol
Molecular Formula C22H25N3O2
Exact Mass 363.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28OgZLNo7g5
Name METHYL-2-(2-CYANOETHYL)-11-METHYL-4(E)-ETHYLIDENE-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-ALPHA-CARBOXYLATE
Compound Number 59
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25N3O2
InChI InChI=1S/C22H25N3O2/c1-4-14-13-25(11-7-10-23)18-12-16(14)20(22(26)27-3)19-15-8-5-6-9-17(15)24(2)21(18)19/h4-6,8-9,16,18,20H,7,11-13H2,1-3H3/b14-4-/t16-,18-,20+/m0/s1
InChIKey CXHCPABNMVJMMY-SMTMISFBSA-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 363.459 g/mol
Solvent CDCl3
Source File Reference UWGE1584
SpectraBase Batch ID AjjLpZ01VkI