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METHYLTHIO_IMPURITY;2-[[(3-METHYL-4-(METHYLTHIO)-2-PYRIDINYL)-METHYL]-SULFINYL]-1-H-BENZIMIDAZOLE
SpectraBase Compound ID 7doxN4p3yvy
InChI InChI=1S/C15H15N3OS2/c1-10-13(16-8-7-14(10)20-2)9-21(19)15-17-11-5-3-4-6-12(11)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKey DENFLHAXXHNAPQ-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C15H15N3OS2
Exact Mass 317.065654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzFVKVMAsYZ
Name METHYLTHIO_IMPURITY;2-[[(3-METHYL-4-(METHYLTHIO)-2-PYRIDINYL)-METHYL]-SULFINYL]-1-H-BENZIMIDAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15N3OS2
InChI InChI=1S/C15H15N3OS2/c1-10-13(16-8-7-14(10)20-2)9-21(19)15-17-11-5-3-4-6-12(11)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKey DENFLHAXXHNAPQ-UHFFFAOYSA-N
Literature Reference Author P.S.RAO,U.K.RAY,P.B.GUPTA,D.V.N.S.RAO,A.ISLAM,P.RAJPUT,K.MUK KANTI
Literature Reference Citation J.PHARM.BIOM.ANAL.,52,620(2010)
Literature Reference DOI 10.1016/j.jpba.2010.01.034
Molecular Weight 317.424 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44176