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DIMETHYL-2-(5-BENZYLOXY-1-CARBOMETHOXY-1H-INDOL-3-YL)-MALONATE
SpectraBase Compound ID 1NjlXCggLLj
InChI InChI=1S/C22H21NO7/c1-27-20(24)19(21(25)28-2)17-12-23(22(26)29-3)18-10-9-15(11-16(17)18)30-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
InChIKey DKNXQHWMAKAPEY-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C22H21NO7
Exact Mass 411.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdeVzYAjicM
Name DIMETHYL-2-(5-BENZYLOXY-1-CARBOMETHOXY-1H-INDOL-3-YL)-MALONATE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21NO7
InChI InChI=1S/C22H21NO7/c1-27-20(24)19(21(25)28-2)17-12-23(22(26)29-3)18-10-9-15(11-16(17)18)30-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
InChIKey DKNXQHWMAKAPEY-UHFFFAOYSA-N
Literature Reference Author M.S.MORALES-RIOS,N.F.SANTOS-SANCHEZ,O.R.SUAREZ-CASTILLO,P.JO SEPH-NATHAN
Literature Reference Citation J.ORG.CHEM.,68,305(2003)
Literature Reference DOI 10.1021/jo020543m
Molecular Weight 411.411 g/mol
Solvent DMSO-D6
Source File Reference UWVN24987