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METHYL_5-(CHLOROACETYL)-3-BETA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE

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METHYL_5-(CHLOROACETYL)-3-BETA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
SpectraBase Compound ID 5shks4aQnYX
InChI InChI=1S/C20H23ClN2O3/c1-3-12-11-22(18(24)10-21)16-9-14(12)19(20(25)26-2)23-15-7-5-4-6-13(15)8-17(16)23/h4-8,12,14,16,19H,3,9-11H2,1-2H3/t12-,14-,16-,19+/m0/s1
InChIKey JMJZHCPVYGHELH-BCRCDCHUSA-N
Mol Weight 374.87 g/mol
Molecular Formula C20H23ClN2O3
Exact Mass 374.13972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4B6u3ilwhgL
Name METHYL_5-(CHLOROACETYL)-3-BETA-ETHYL-1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23ClN2O3
InChI InChI=1S/C20H23ClN2O3/c1-3-12-11-22(18(24)10-21)16-9-14(12)19(20(25)26-2)23-15-7-5-4-6-13(15)8-17(16)23/h4-8,12,14,16,19H,3,9-11H2,1-2H3/t12-,14-,16-,19+/m0/s1
InChIKey JMJZHCPVYGHELH-BCRCDCHUSA-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 374.867 g/mol
Solvent CDCl3
Source File Reference UWMZ2044