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3-n-Butyl-5-(4-chlorophenyl)isoxazoline
SpectraBase Compound ID 2YL8jkXrYA0
InChI InChI=1S/C13H16ClNO/c1-2-3-4-12-9-13(16-15-12)10-5-7-11(14)8-6-10/h5-8,13H,2-4,9H2,1H3
InChIKey YTDMKDFWZMLMJL-UHFFFAOYSA-N
Mol Weight 237.73 g/mol
Molecular Formula C13H16ClNO
Exact Mass 237.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FagQMcVhXx
Name 3-n-Butyl-5-(4-chlorophenyl)isoxazoline
Alternate Name(s) 3-butyl-5-(4-chlorophenyl)-4,5-dihydroisoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C13H16ClNO
InChI InChI=1S/C13H16ClNO/c1-2-3-4-12-9-13(16-15-12)10-5-7-11(14)8-6-10/h5-8,13H,2-4,9H2,1H3
InChIKey YTDMKDFWZMLMJL-UHFFFAOYSA-N
Molecular Weight 237.730 g/mol
SMILES C1(=NOC(C1)c1ccc(cc1)Cl)CCCC
SPLASH splash10-001i-0930000000-6955e356906d4c1827b5
Source of Spectrum Y1-32-472-10
Wiley ID 1526037