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YDOSNWWNIIXJIQ-BQYQJAHWSA-N
SpectraBase Compound ID KuVL9LdvoOn
InChI InChI=1S/C13H13NOS/c1-10-3-5-11(6-4-10)7-8-12-9-13(16-2)14-15-12/h3-9H,1-2H3/b8-7+
InChIKey YDOSNWWNIIXJIQ-BQYQJAHWSA-N
Mol Weight 231.31 g/mol
Molecular Formula C13H13NOS
Exact Mass 231.071785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I38vQVkfiCO
Name 3-METHYLTHIO-5-[2-(PARA-METHYLPHENYL)-ETHENYL]-ISOXAZOLE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NOS
InChI InChI=1S/C13H13NOS/c1-10-3-5-11(6-4-10)7-8-12-9-13(16-2)14-15-12/h3-9H,1-2H3/b8-7+
InChIKey YDOSNWWNIIXJIQ-BQYQJAHWSA-N
Literature Reference Author M.L.PURKAYASTHA,B.PATRO,H.ILA,H.JUNJAPPA
Literature Reference Citation J.HETCYCL.CHEM.,28,1341(1991)
Literature Reference DOI 10.1002/jhet.5570280528
Molecular Weight 231.312 g/mol
Solvent CDCl3
Source File Reference UWCS18479