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3-Acetyl-5-hydroxymethyl-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID BS5mJXgT3rF
InChI InChI=1S/C12H13N3O3/c1-8(17)11-13-10(7-16)12(18)15(14-11)9-5-3-2-4-6-9/h2-6,10,16H,7H2,1H3,(H,13,14)
InChIKey REHWTTAHTOOVQL-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C12H13N3O3
Exact Mass 247.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlEvFfvo2df
Name 3-Acetyl-5-hydroxymethyl-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
Alternate Name(s) 3-Acetyl-5-(hydroxymethyl)-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-5-(hydroxymethyl)-1-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-Acetyl-5-methylol-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one 3-Ethanoyl-5-(hydroxymethyl)-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
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Formula C12H13N3O3
InChI InChI=1S/C12H13N3O3/c1-8(17)11-13-10(7-16)12(18)15(14-11)9-5-3-2-4-6-9/h2-6,10,16H,7H2,1H3,(H,13,14)
InChIKey REHWTTAHTOOVQL-UHFFFAOYSA-N
Molecular Weight 247.254 g/mol
SMILES N1C(=NN(C(C1CO)=O)c1ccccc1)C(=O)C
SPLASH splash10-00kf-9330000000-07439c994efbc64e36ee
Wiley ID 1475502