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METHYL-4-[(BETA-CARBOLIN-1-YL)-METHYL]-5-(1-HYDROXYETHYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
SpectraBase Compound ID 3yjh8JpOPdS
InChI InChI=1S/2C21H21N3O3/c2*1-12(25)16-10-22-11-17(21(26)27-2)15(16)9-19-20-14(7-8-23-19)13-5-3-4-6-18(13)24-20/h2*3-8,10-12,15,22,24-25H,9H2,1-2H3/t2*12-,15?/m11/s1
InChIKey JYXNECXCQBIWAV-MDDJNUKESA-N
Mol Weight 726.83 g/mol
Molecular Formula C42H42N6O6
Exact Mass 726.316583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5a7BX1DwdWl
Name METHYL-4-[(BETA-CARBOLIN-1-YL)-METHYL]-5-(1-HYDROXYETHYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42N6O6
InChI InChI=1S/2C21H21N3O3/c2*1-12(25)16-10-22-11-17(21(26)27-2)15(16)9-19-20-14(7-8-23-19)13-5-3-4-6-18(13)24-20/h2*3-8,10-12,15,22,24-25H,9H2,1-2H3/t2*12-,15?/m11/s1
InChIKey JYXNECXCQBIWAV-MDDJNUKESA-N
Literature Reference Author M.L.BENNASAR,T.ROCA,M.MONERRIS
Literature Reference Citation J.ORG.CHEM.,69,752(2004)
Literature Reference DOI 10.1021/jo035507h
Molecular Weight 726.832 g/mol
Solvent CD3OD
Source File Reference UWVN21541