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Isoxazole, 5-(butylthio)-3-phenyl-

View entire compound with spectra: 1 MS (GC)

Isoxazole, 5-(butylthio)-3-phenyl-
SpectraBase Compound ID 7HsgLLiul9v
InChI InChI=1S/C13H15NOS/c1-2-3-9-16-13-10-12(14-15-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKey ROWNVYVSXKHRMI-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C13H15NOS
Exact Mass 233.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu63r71Myrh
Name Isoxazole, 5-(butylthio)-3-phenyl-
Alternate Name(s) 5-(Butylsulfanyl)-3-phenylisoxazole 5-(butylthio)-3-phenyl-isoxazole 5-Butylsulfanyl-3-phenyl-1,2-oxazole 5-(butylthio)-3-phenylisoxazole
CAS Registry Number 25755-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NOS
InChI InChI=1S/C13H15NOS/c1-2-3-9-16-13-10-12(14-15-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKey ROWNVYVSXKHRMI-UHFFFAOYSA-N
Molecular Weight 233.329 g/mol
SMILES CCCCSc1cc(-c2ccccc2)no1
SPLASH splash10-0kbf-9700000000-fc586e6350c69d8e3531
Source of Spectrum O-5-130-7
Wiley ID 31466