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IMPURITY-7;2-[[CHLORO-[4-(3-METHOXYPROPOXY)-3-METHYL-PYRIDIN-2-YL]-METHYL]-SULFONYL]-1H-BENZIMIDAZOLE
SpectraBase Compound ID JJNjSOTmzuL
InChI InChI=1S/C18H20ClN3O4S/c1-12-15(26-11-5-10-25-2)8-9-20-16(12)17(19)27(23,24)18-21-13-6-3-4-7-14(13)22-18/h3-4,6-9,17H,5,10-11H2,1-2H3,(H,21,22)
InChIKey ZPPROCRHWAACBK-UHFFFAOYSA-N
Mol Weight 409.89 g/mol
Molecular Formula C18H20ClN3O4S
Exact Mass 409.086305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KcxwjGjGhgM
Name IMPURITY-7;2-[[CHLORO-[4-(3-METHOXYPROPOXY)-3-METHYL-PYRIDIN-2-YL]-METHYL]-SULFONYL]-1H-BENZIMIDAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20ClN3O4S
InChI InChI=1S/C18H20ClN3O4S/c1-12-15(26-11-5-10-25-2)8-9-20-16(12)17(19)27(23,24)18-21-13-6-3-4-7-14(13)22-18/h3-4,6-9,17H,5,10-11H2,1-2H3,(H,21,22)
InChIKey ZPPROCRHWAACBK-UHFFFAOYSA-N
Literature Reference Author R.B.REDDY,T.V.GOUD,N.NAGAMANI,A.ALAGUDURAI,R.MURUGAN,K.PARTH ASARATHY,V.KARTHIKEY
Literature Reference Citation J.CHEM.PHARM.RES.,4,1,130(2012)
Molecular Weight 409.888 g/mol
Solvent Unknown
Source File Reference UWIR14002