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1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-4-methyl-2-(4-nitrophenyl)-3-oxo-
SpectraBase Compound ID 8DbFbYf7smj
InChI InChI=1S/C11H8N6O3/c1-15-10(13)9(6-12)14-16(11(15)18)7-2-4-8(5-3-7)17(19)20/h2-5,13H,1H3
InChIKey OAKNWIFIFHLFKX-UHFFFAOYSA-N
Mol Weight 272.22 g/mol
Molecular Formula C11H8N6O3
Exact Mass 272.065788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gzi4DLAosOM
Name 1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-4-methyl-2-(4-nitrophenyl)-3-oxo-
CAS Registry Number 66706-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N6O3
InChI InChI=1S/C11H8N6O3/c1-15-10(13)9(6-12)14-16(11(15)18)7-2-4-8(5-3-7)17(19)20/h2-5,13H,1H3
InChIKey OAKNWIFIFHLFKX-UHFFFAOYSA-N
Molecular Weight 272.224 g/mol
SMILES N=C1C(=NN(C(N1C)=O)c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-00di-3950000000-6fab273a49db1b607581
Source of Spectrum H-61-1177-0
Synonyms 2-(4-Nitrophenyl)-3-oxo-4-methyl-5-imino-6-cyano-2,3,4,5-tetrahydro-1,2,4-triazine 5-imino-4-methyl-2-(4-nitrophenyl)-3-oxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Wiley ID 1275690