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3-Acetyl-5,5-dimethyl-1-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one
SpectraBase Compound ID J4aHOMtXplW
InChI InChI=1S/C13H15N3O2/c1-9(17)11-14-13(2,3)12(18)16(15-11)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,15)
InChIKey SCWHFLLXWUAMJX-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FZJ0UHzlI
Name 3-Acetyl-5,5-dimethyl-1-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one
CAS Registry Number 139456-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O2
InChI InChI=1S/C13H15N3O2/c1-9(17)11-14-13(2,3)12(18)16(15-11)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,15)
InChIKey SCWHFLLXWUAMJX-UHFFFAOYSA-N
Molecular Weight 245.282 g/mol
SMILES N1C(=NN(C(C1(C)C)=O)c1ccccc1)C(=O)C
SPLASH splash10-0f6x-9140000000-c8acab974c9e2e71820e
Synonyms 3-Acetyl-5,5-dimethyl-1-phenyl-2H-1,2,4-triazin-6-one 3-Acetyl-5,5-dimethyl-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one 3-Ethanoyl-5,5-dimethyl-1-phenyl-2H-1,2,4-triazin-6-one
Wiley ID 1475551