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IMPURITY-III;3-ETHYL-5-METHYL-2-(2-AMINOETHOXYMETHYL)-4-(2-CHLOROPHENYL)-6-METHYL-3,5-PYRIDINEDICARBOXYLATE-SALT
SpectraBase Compound ID EiR9BcfLcMA
InChI InChI=1S/C20H23ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)
InChIKey RHYAPECMMUBIFD-UHFFFAOYSA-N
Mol Weight 565.04 g/mol
Molecular Formula C26H29ClN2O8S
Exact Mass 564.133315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KgHu7GIKBH
Name IMPURITY-III;3-ETHYL-5-METHYL-2-(2-AMINOETHOXYMETHYL)-4-(2-CHLOROPHENYL)-6-METHYL-3,5-PYRIDINEDICARBOXYLATE-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29ClN2O8S
InChI InChI=1S/C20H23ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)
InChIKey RHYAPECMMUBIFD-UHFFFAOYSA-N
Literature Reference Author P.SUDHAKAR,M.NIRMALA,J.M.BABU,K.VYAS,G.M.REDDY,B.V.BHASKAR,P .P.REDDY,K.MUKKANTI
Literature Reference Citation J.PHARM.BIOM.ANAL.,40,605(2006)
Literature Reference DOI 10.1016/j.jpba.2005.10.029
Molecular Weight 565.038 g/mol
Solvent DMSO-D6
Source File Reference UWDB40