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3-Acetyl-1-(4-chlorophenyl)-5-hydroxymethyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID 31sDfL8luCK
InChI InChI=1S/C12H12ClN3O3/c1-7(18)11-14-10(6-17)12(19)16(15-11)9-4-2-8(13)3-5-9/h2-5,10,17H,6H2,1H3,(H,14,15)
InChIKey YEQWYVUZNSDMHF-UHFFFAOYSA-N
Mol Weight 281.7 g/mol
Molecular Formula C12H12ClN3O3
Exact Mass 281.056719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOFBowAOvx
Name 3-Acetyl-1-(4-chlorophenyl)-5-hydroxymethyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
CAS Registry Number 139455-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3O3
InChI InChI=1S/C12H12ClN3O3/c1-7(18)11-14-10(6-17)12(19)16(15-11)9-4-2-8(13)3-5-9/h2-5,10,17H,6H2,1H3,(H,14,15)
InChIKey YEQWYVUZNSDMHF-UHFFFAOYSA-N
Molecular Weight 281.699 g/mol
SMILES N1C(=NN(C(C1CO)=O)c1ccc(cc1)Cl)C(=O)C
SPLASH splash10-0006-9440000000-952811454970480db5ea
Synonyms 1-(4-Chlorophenyl)-3-ethanoyl-5-(hydroxymethyl)-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-1-(4-chlorophenyl)-5-(hydroxymethyl)-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-1-(4-chlorophenyl)-5-(hydroxymethyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-Acetyl-1-(4-chlorophenyl)-5-methylol-2,5-dihydro-1,2,4-triazin-6-one
Wiley ID 1475559