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METHYL_5-ACETYL-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 8rx2EoacMaM
InChI InChI=1S/C20H24N2O3/c1-4-13-11-21(12(2)23)17-10-15(13)19(20(24)25-3)22-16-8-6-5-7-14(16)9-18(17)22/h5-9,13,15,17,19H,4,10-11H2,1-3H3/t13-,15-,17-,19+/m0/s1
InChIKey XCMRJBIAVWZVTL-YMFLFHJQSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PvWyEXACsw
Name METHYL_5-ACETYL-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 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-4-13-11-21(12(2)23)17-10-15(13)19(20(24)25-3)22-16-8-6-5-7-14(16)9-18(17)22/h5-9,13,15,17,19H,4,10-11H2,1-3H3/t13-,15-,17-,19+/m0/s1
InChIKey XCMRJBIAVWZVTL-YMFLFHJQSA-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 340.422 g/mol
Solvent CDCl3
Source File Reference UWMZ2045