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5-(4-Methylphenyl)-7-phenyl-2,4,5,6-tetrahydro-3H-1,2,4-triazepine-3-one
SpectraBase Compound ID 28EpqoKxT0G
InChI InChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)15-11-16(19-20-17(21)18-15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,18,20,21)
InChIKey ONEOZIFDAZOPFC-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C17H17N3O
Exact Mass 279.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSLMMIWhZNu
Name 5-(4-Methylphenyl)-7-phenyl-2,4,5,6-tetrahydro-3H-1,2,4-triazepine-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O
InChI InChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)15-11-16(19-20-17(21)18-15)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,18,20,21)
InChIKey ONEOZIFDAZOPFC-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.10.079
Molecular Weight 279.343 g/mol
SMILES N1C(NN=C(CC1c1ccc(cc1)C)c1ccccc1)=O
SPLASH splash10-014i-3920000000-5ddcfdbeb09d281873fa
Source of Spectrum F-71-9542-29b
Synonyms 7-Phenyl-5-(p-tolyl)-2,4,5,6-tetrahydro-3H-1,2,4-triazepin-3-one
Wiley ID 1803338