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METHYL-3-BENZYL-1,2,3,4,5,6-HEXAHYDROAZEPINO-[4,5-B]-INDOLE-5-CARBOXYLATE
SpectraBase Compound ID 1kpVkvH63AJ
InChI InChI=1S/C21H22N2O2/c1-25-21(24)18-14-23(13-15-7-3-2-4-8-15)12-11-17-16-9-5-6-10-19(16)22-20(17)18/h2-10,18,22H,11-14H2,1H3
InChIKey BLROAGZNDOJDHY-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B441RZzBVmq
Name METHYL-3-BENZYL-1,2,3,4,5,6-HEXAHYDROAZEPINO-[4,5-B]-INDOLE-5-CARBOXYLATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-25-21(24)18-14-23(13-15-7-3-2-4-8-15)12-11-17-16-9-5-6-10-19(16)22-20(17)18/h2-10,18,22H,11-14H2,1H3
InChIKey BLROAGZNDOJDHY-UHFFFAOYSA-N
Literature Reference Author G.KALAUS,I.GREINER,M.KAJTAR-PEREDY,J.BRLIK,L.SZABO,C.SZANTAY
Literature Reference Citation J.ORG.CHEM.,58,1434(1993)
Literature Reference DOI 10.1021/jo00058a025
Molecular Weight 334.418 g/mol
Solvent CDCl3
Source File Reference UWCS20113