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3-Acetyl-5-benzyl-1-(4-iodophenyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID 2LYSPr7vvAH
InChI InChI=1S/C18H16IN3O2/c1-12(23)17-20-16(11-13-5-3-2-4-6-13)18(24)22(21-17)15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,21)
InChIKey OGIMTHTVNBEQKH-UHFFFAOYSA-N
Mol Weight 433.25 g/mol
Molecular Formula C18H16IN3O2
Exact Mass 433.028722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRuFfRXljVB
Name 3-Acetyl-5-benzyl-1-(4-iodophenyl)-4,5-dihydro-1H-[1,2,4]triazin-6-one
Alternate Name(s) 3-Acetyl-1-(4-iodophenyl)-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-5-benzyl-1-(4-iodophenyl)-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-5-benzyl-1-(4-iodophenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-Ethanoyl-1-(4-iodophenyl)-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-6-one
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Formula C18H16IN3O2
InChI InChI=1S/C18H16IN3O2/c1-12(23)17-20-16(11-13-5-3-2-4-6-13)18(24)22(21-17)15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,21)
InChIKey OGIMTHTVNBEQKH-UHFFFAOYSA-N
Molecular Weight 433.249 g/mol
SMILES N1C(=NN(C(C1Cc1ccccc1)=O)c1ccc(cc1)I)C(=O)C
SPLASH splash10-0006-7239300000-9f101584fda8e72e6f39
Wiley ID 1475103