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DIETHYL-2-[4-[(BENZYLOXY)-AMINO]-4-OXOBUTANOYL]-AMINO]-2-[2-(DIMETHYLAMINOETHYL)-1H-INDOL-2-YL-METHYL]]-MALONATE
SpectraBase Compound ID HBBa3UGPIO
InChI InChI=1S/C31H40N4O7/c1-5-40-29(38)31(30(39)41-6-2,20-24-23-14-10-11-15-25(23)32-26(24)18-19-35(3)4)33-27(36)16-17-28(37)34-42-21-22-12-8-7-9-13-22/h7-15,32H,5-6,16-21H2,1-4H3,(H,33,36)(H,34,37)
InChIKey VJXQUJBURLPABT-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C31H40N4O7
Exact Mass 580.2897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JS4BVVeWT2
Name DIETHYL-2-[4-[(BENZYLOXY)-AMINO]-4-OXOBUTANOYL]-AMINO]-2-[2-(DIMETHYLAMINOETHYL)-1H-INDOL-2-YL-METHYL]]-MALONATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40N4O7
InChI InChI=1S/C31H40N4O7/c1-5-40-29(38)31(30(39)41-6-2,20-24-23-14-10-11-15-25(23)32-26(24)18-19-35(3)4)33-27(36)16-17-28(37)34-42-21-22-12-8-7-9-13-22/h7-15,32H,5-6,16-21H2,1-4H3,(H,33,36)(H,34,37)
InChIKey VJXQUJBURLPABT-UHFFFAOYSA-N
Literature Reference Author V.MARCQ,C.MIRAND,H.EMONARD,W.HORNEBECK
Literature Reference Citation HETEROCYCLES,51,1079(1999)
Literature Reference DOI 10.3987/COM-98-8450
Molecular Weight 580.681 g/mol
Solvent CDCl3
Source File Reference UWVP7502