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1-(3',5'-Dimethyl-4'-isoxazolyl)pentyl-(p-tolyl)sulfone
SpectraBase Compound ID LYOJPyfUouq
InChI InChI=1S/C17H23NO3S/c1-5-6-7-16(17-13(3)18-21-14(17)4)22(19,20)15-10-8-12(2)9-11-15/h8-11,16H,5-7H2,1-4H3
InChIKey FMDFNAFIGQZJDG-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C17H23NO3S
Exact Mass 321.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlLkZafQ3uh
Name 1-(3',5'-Dimethyl-4'-isoxazolyl)pentyl-(p-tolyl)sulfone
Alternate Name(s) 1-(3,5-dimethyl-4-isoxazolyl)pentyl 4-methylphenyl sulfone 3,5-Dimethyl-4-{1-[(4-methylphenyl)sulfonyl]pentyl}isoxazole
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Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c1-5-6-7-16(17-13(3)18-21-14(17)4)22(19,20)15-10-8-12(2)9-11-15/h8-11,16H,5-7H2,1-4H3
InChIKey FMDFNAFIGQZJDG-UHFFFAOYSA-N
Molecular Weight 321.435 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1c(onc1C)C)CCCC
SPLASH splash10-03xr-3900000000-d6eac4d9e76e02604f64
Source of Spectrum Y4-83-190-21
Wiley ID 1549981