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1-(3-iodanylpropyl)-4-methyl-5-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
SpectraBase Compound ID 1nW2F29fOwa
InChI InChI=1S/C16H20INO3S/c1-12-4-6-14(7-5-12)22(20,21)15-11-18(9-3-8-17)16(19)10-13(15)2/h4-7,11,13H,3,8-10H2,1-2H3
InChIKey WUNZAJWKNYEURT-UHFFFAOYSA-N
Mol Weight 433.3 g/mol
Molecular Formula C16H20INO3S
Exact Mass 433.02086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oV8Ckg3vqs
Name 1-(3-iodanylpropyl)-4-methyl-5-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
Alternate Name(s) 1-(3-iodopropyl)-4-methyl-5-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one 1-(3-iodopropyl)-4-methyl-5-(p-tolylsulfonyl)-3,4-dihydropyridin-2-one 1-(3-iodopropyl)-4-methyl-5-tosyl-3,4-dihydropyridin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H20INO3S
InChI InChI=1S/C16H20INO3S/c1-12-4-6-14(7-5-12)22(20,21)15-11-18(9-3-8-17)16(19)10-13(15)2/h4-7,11,13H,3,8-10H2,1-2H3
InChIKey WUNZAJWKNYEURT-UHFFFAOYSA-N
Molecular Weight 433.304 g/mol
SMILES C1(CC(C(=CN1CCCI)S(=O)(=O)c1ccc(cc1)C)C)=O
SPLASH splash10-0006-9000200000-1ee3c91820106a07a085
Source of Spectrum J-67-5046-5
Wiley ID 1570394