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2,2-bis[3-keto-3-(2-pyridylmethylamino)propyl]malonic acid

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2,2-bis[3-keto-3-(2-pyridylmethylamino)propyl]malonic acid
SpectraBase Compound ID FOvJKMxnRAr
InChI InChI=1S/C21H24N4O6/c26-17(24-13-15-5-1-3-11-22-15)7-9-21(19(28)29,20(30)31)10-8-18(27)25-14-16-6-2-4-12-23-16/h1-6,11-12H,7-10,13-14H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
InChIKey HJMVHFDTEJHMSB-UHFFFAOYSA-N
Mol Weight 428.45 g/mol
Molecular Formula C21H24N4O6
Exact Mass 428.169585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IL2h6QwU9lr
Name 2,2-bis[3-keto-3-(2-pyridylmethylamino)propyl]malonic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N4O6
InChI InChI=1S/C21H24N4O6/c26-17(24-13-15-5-1-3-11-22-15)7-9-21(19(28)29,20(30)31)10-8-18(27)25-14-16-6-2-4-12-23-16/h1-6,11-12H,7-10,13-14H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
InChIKey HJMVHFDTEJHMSB-UHFFFAOYSA-N
Literature Reference Author R.BENSHAFRUT,A.HARAN,D.SHVARTS,B.SCHNEIDER
Literature Reference Citation J.ORG.CHEM.,67,4040(2002)
Literature Reference DOI 10.1021/jo010661u
Molecular Weight 428.445 g/mol
Solvent CD3OD
Source File Reference UWVN23031