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3-Phenyl-1,2-dihydro-1,2,4-triazine-5,6-dione

View entire compound with spectra: 1 MS (GC)

3-Phenyl-1,2-dihydro-1,2,4-triazine-5,6-dione
SpectraBase Compound ID 1clT8edjZwe
InChI InChI=1S/C9H7N3O2/c13-8-9(14)12-11-7(10-8)6-4-2-1-3-5-6/h1-5H,(H,12,14)(H,10,11,13)
InChIKey PNLKOKIOHYQUTG-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C9H7N3O2
Exact Mass 189.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSNrjT1UnfK
Name 3-Phenyl-1,2-dihydro-1,2,4-triazine-5,6-dione
Alternate Name(s) 3-Phenyl-1,2-dihydro-1,2,4-triazine-5,6-quinone
CAS Registry Number 36993-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O2
InChI InChI=1S/C9H7N3O2/c13-8-9(14)12-11-7(10-8)6-4-2-1-3-5-6/h1-5H,(H,12,14)(H,10,11,13)
InChIKey PNLKOKIOHYQUTG-UHFFFAOYSA-N
Molecular Weight 189.174 g/mol
SMILES N1C(C(N=C(N1)c1ccccc1)=O)=O
SPLASH splash10-00kr-2900000000-afeb8698b0b172577572
Source of Spectrum B-40-695-4
Wiley ID 1185502