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5-Methylthio-3-(4-phenyl-1,3-butadienyl)isoxazole

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5-Methylthio-3-(4-phenyl-1,3-butadienyl)isoxazole
SpectraBase Compound ID 9JPpLlWyutl
InChI InChI=1S/C14H13NOS/c1-17-14-11-13(15-16-14)10-6-5-9-12-7-3-2-4-8-12/h2-11H,1H3/b9-5+,10-6+
InChIKey JJZXVBOUGXQXJH-NXZHAISVSA-N
Mol Weight 243.32 g/mol
Molecular Formula C14H13NOS
Exact Mass 243.071785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uSLcf0EKF6
Name 5-METHYLTHIO-3-(4-PHENYL-1,3-BUTADIENYL)-ISOXAZOLE
Compound Number 2J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13NOS
InChI InChI=1S/C14H13NOS/c1-17-14-11-13(15-16-14)10-6-5-9-12-7-3-2-4-8-12/h2-11H,1H3/b9-5+,10-6+
InChIKey JJZXVBOUGXQXJH-NXZHAISVSA-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 243.323 g/mol
Solvent CDCl3
Source File Reference UWCS18477