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Bis(2-cyanoethyl)-malonic acid, diethyl ester

View entire compound with spectra: 6 NMR, 1 FTIR, and 1 Raman

Bis(2-cyanoethyl)-malonic acid, diethyl ester
SpectraBase Compound ID Cixs3vHSTA
InChI InChI=1S/C13H18N2O4/c1-3-18-11(16)13(7-5-9-14,8-6-10-15)12(17)19-4-2/h3-8H2,1-2H3
InChIKey KAESGTBHXNCAHO-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yoF07Fyq9c
Name BIS-(2-CYANOETHYL)-MALONIC_ACID_DIETHYLESTER
Compound Number I-B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-3-18-11(16)13(7-5-9-14,8-6-10-15)12(17)19-4-2/h3-8H2,1-2H3
InChIKey KAESGTBHXNCAHO-UHFFFAOYSA-N
Literature Reference Author V.Y.ZUBAREV,G.V.GURSKAYA,V.E.ZAVODNIK,V.A.OSTROVSKII
Literature Reference Citation CHEM.HET.COMP.,33,1292(1997)
Literature Reference DOI 10.1007/bf02320330
Molecular Weight 266.297 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14443