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3-METHYLTHIO-5-[2-(PARA-METHOXYPHENYL)-ETHENYL]-ISOXAZOLE
SpectraBase Compound ID 9C3R2DBYMME
InChI InChI=1S/C13H13NO2S/c1-15-11-6-3-10(4-7-11)5-8-12-9-13(17-2)14-16-12/h3-9H,1-2H3/b8-5+
InChIKey BDQSWEUQIABEGB-VMPITWQZSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Le8hod1dkdw
Name 3-METHYLTHIO-5-[2-(PARA-METHOXYPHENYL)-ETHENYL]-ISOXAZOLE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-15-11-6-3-10(4-7-11)5-8-12-9-13(17-2)14-16-12/h3-9H,1-2H3/b8-5+
InChIKey BDQSWEUQIABEGB-VMPITWQZSA-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 247.312 g/mol
Solvent CDCl3
Source File Reference UWCS18480