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N-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-4-METHOXYBENZAMIDE;LUF-5417
SpectraBase Compound ID CuY4YRH4xmN
InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)
InChIKey RGVXOHBJCGPTQH-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHpDFMYRF4x
Name N-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-4-METHOXYBENZAMIDE;LUF-5417
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)
InChIKey RGVXOHBJCGPTQH-UHFFFAOYSA-N
Literature Reference Author J.E.V.MUIJLWIJK-KOEZEN,H.TIMMERMAN,R.C.VOLLINGA,J.F.V.D.KUEZ EL,M.D.GROOTE,S.VISS
Literature Reference Citation J.MED.CHEM.,44,749(2001)
Literature Reference DOI 10.1021/jm0003945
Molecular Weight 311.358 g/mol
Sample ID 44345
Solvent CDCl3