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3-cyanoquinaldic acid methyl ester
SpectraBase Compound ID IxPbTE5qROb
InChI InChI=1S/C12H8N2O2/c1-16-12(15)11-9(7-13)6-8-4-2-3-5-10(8)14-11/h2-6H,1H3
InChIKey RNIIXPNFVVJIRO-UHFFFAOYSA-N
Mol Weight 212.21 g/mol
Molecular Formula C12H8N2O2
Exact Mass 212.058578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kc2ddbalDag
Name 3-cyanoquinaldic acid methyl ester
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N2O2
InChI InChI=1S/C12H8N2O2/c1-16-12(15)11-9(7-13)6-8-4-2-3-5-10(8)14-11/h2-6H,1H3
InChIKey RNIIXPNFVVJIRO-UHFFFAOYSA-N
Literature Reference Author J.ELGUERO,M.GARCIA-RODRIGUEZ,E.GUTIERREZ-PUEBLA,A.DELAHOZ,M. A.MONGE,C.PARDO,M.DE
Literature Reference Citation J.ORG.CHEM.,57,4151(1992)
Literature Reference DOI 10.1021/jo00041a018
Molecular Weight 212.208 g/mol
Solvent CDCl3
Source File Reference UWCS770