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3-METHYLTHIO-5-(4-PHENYL-1,3-BUTADIENYL)-ISOXAZOLE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-METHYLTHIO-5-(4-PHENYL-1,3-BUTADIENYL)-ISOXAZOLE
SpectraBase Compound ID 4ik8myjBlfp
InChI InChI=1S/C14H13NOS/c1-17-14-11-13(16-15-14)10-6-5-9-12-7-3-2-4-8-12/h2-11H,1H3/b9-5+,10-6+
InChIKey FXIBMSVRDBDZLP-NXZHAISVSA-N
Mol Weight 243.32 g/mol
Molecular Formula C14H13NOS
Exact Mass 243.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJqHlSLzPdp
Name 3-(methylthio)-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NOS
InChI InChI=1S/C14H13NOS/c1-17-14-11-13(16-15-14)10-6-5-9-12-7-3-2-4-8-12/h2-11H,1H3/b9-5+,10-6+
InChIKey FXIBMSVRDBDZLP-NXZHAISVSA-N
Molecular Weight 243.324 g/mol
SMILES c1(noc(c1)\C=C\C=C\c1ccccc1)SC
SPLASH splash10-054p-0940000000-1229a827e4082c4e71c7
Source of Spectrum Y-28-1346-3
Synonyms 3-Methylsulfanyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,2-oxazole 3-Methylsulfanyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]isoxazole
Wiley ID 1246051