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3-Acetyl-5-methyl-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID BFqFIvAKS0I
InChI InChI=1S/C12H13N3O2/c1-8-12(17)15(10-6-4-3-5-7-10)14-11(13-8)9(2)16/h3-8H,1-2H3,(H,13,14)
InChIKey MWZHFYSDQVAGKM-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWbMdzvmRuF
Name 3-Acetyl-5-methyl-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821401
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c1-8-12(17)15(10-6-4-3-5-7-10)14-11(13-8)9(2)16/h3-8H,1-2H3,(H,13,14)
InChIKey MWZHFYSDQVAGKM-UHFFFAOYSA-N
Molecular Weight 231.255 g/mol
SMILES N1C(=NN(C(C1C)=O)c1ccccc1)C(=O)C
SPLASH splash10-001c-9410000000-7a1ecf2f9923395f63ef
Synonyms 3-acetyl-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-5-methyl-1-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-ethanoyl-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
Wiley ID 1475503