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

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METHYL-2-(CHLOROACETYL)-4-ALPHA-ETHYL-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
SpectraBase Compound ID 77FW0NXUo7p
InChI InChI=1S/C21H25ClN2O3/c1-4-12-11-24(17(25)10-22)16-9-14(12)19(21(26)27-3)18-13-7-5-6-8-15(13)23(2)20(16)18/h5-8,12,14,16,19H,4,9-11H2,1-3H3/t12-,14+,16+,19+/m1/s1
InChIKey MIJNYZYGIKBDAP-AGLNLLDASA-N
Mol Weight 388.9 g/mol
Molecular Formula C21H25ClN2O3
Exact Mass 388.15537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJDkYUy3LCm
Name METHYL-2-(CHLOROACETYL)-4-ALPHA-ETHYL-11-METHYL-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6-BETA-CARBOXYLATE
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClN2O3
InChI InChI=1S/C21H25ClN2O3/c1-4-12-11-24(17(25)10-22)16-9-14(12)19(21(26)27-3)18-13-7-5-6-8-15(13)23(2)20(16)18/h5-8,12,14,16,19H,4,9-11H2,1-3H3/t12-,14+,16+,19+/m1/s1
InChIKey MIJNYZYGIKBDAP-AGLNLLDASA-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 388.894 g/mol
Solvent CDCl3
Source File Reference UWGE1574