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IMPURITY-IV;2-[[[4-(3-METHOXYPROPOXY)-3-METHYL]-PYRIDIN-2-YL]-METHANESULFINYL]-1-[[4-(3-METHOXYPRPOXY)-3-METHYL]-PYRIDIN-2-YLMETHYL]-1-H-BENZIMIDOZOLE
SpectraBase Compound ID 2bK4k2zjog6
InChI InChI=1S/C29H36N4O5S/c1-21-24(30-13-11-27(21)37-17-7-15-35-3)19-33-26-10-6-5-9-23(26)32-29(33)39(34)20-25-22(2)28(12-14-31-25)38-18-8-16-36-4/h5-6,9-14H,7-8,15-20H2,1-4H3
InChIKey GPEBYGLKBPIFHI-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C29H36N4O5S
Exact Mass 552.240641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YrayJZ8aMY
Name IMPURITY-IV;2-[[[4-(3-METHOXYPROPOXY)-3-METHYL]-PYRIDIN-2-YL]-METHANESULFINYL]-1-[[4-(3-METHOXYPRPOXY)-3-METHYL]-PYRIDIN-2-YLMETHYL]-1-H-BENZIMIDOZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36N4O5S
InChI InChI=1S/C29H36N4O5S/c1-21-24(30-13-11-27(21)37-17-7-15-35-3)19-33-26-10-6-5-9-23(26)32-29(33)39(34)20-25-22(2)28(12-14-31-25)38-18-8-16-36-4/h5-6,9-14H,7-8,15-20H2,1-4H3
InChIKey GPEBYGLKBPIFHI-UHFFFAOYSA-N
Literature Reference Author G.M.REDDY,B.V.BHASKAR,P.P.REDDY,P.SUDHAKAR,J.M.BABU,K.VYAS,P .R.REDDY,K.MUKKANTI
Literature Reference Citation J.PHARM.BIOM.ANAL.,43,1262(2007)
Literature Reference DOI 10.1016/j.jpba.2006.10.017
Molecular Weight 552.689 g/mol
Solvent DMSO-D6:CDCl3
Source File Reference UWDB11