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

View entire compound with spectra: 1 MS (GC)

5-Methylthio-3-(4-phenyl-1,3-butadienyl)isoxazole
SpectraBase Compound ID 71uyanHc2b7
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-OZDSWYPASA-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 LfobT3B4CnN
Name 5-Methylthio-3-(4-phenyl-1,3-butadienyl)isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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-OZDSWYPASA-N
Molecular Weight 243.324 g/mol
SMILES c1c(onc1\C=C/C=C\c1ccccc1)SC
SPLASH splash10-00ke-0940000000-bf988b902531645c1616
Source of Spectrum Y-28-1345-2
Synonyms 5-(methylsulfanyl)-3-[(1Z,3Z)-4-phenyl-1,3-butadienyl]isoxazole 5-Methylthio-3-[4'-phenyl-1',3'-butadienyl]isoxazole Methyl 3-[(1Z,3Z)-4-phenyl-1,3-butadienyl]-5-isoxazolyl sulfide
Wiley ID 1246050