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1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-4-methyl-3-oxo-2-[4-(phenylazo)phenyl]-
SpectraBase Compound ID GYqMUfRQLnS
InChI InChI=1S/C17H13N7O/c1-23-16(19)15(11-18)22-24(17(23)25)14-9-7-13(8-10-14)21-20-12-5-3-2-4-6-12/h2-10,19H,1H3/b19-16?,21-20+
InChIKey SWJPHIDXHGJUBJ-XXVXRULJSA-N
Mol Weight 331.34 g/mol
Molecular Formula C17H13N7O
Exact Mass 331.118158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HU4jt6Vk1WH
Name 1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-4-methyl-3-oxo-2-[4-(phenylazo)phenyl]-
CAS Registry Number 66706-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N7O
InChI InChI=1S/C17H13N7O/c1-23-16(19)15(11-18)22-24(17(23)25)14-9-7-13(8-10-14)21-20-12-5-3-2-4-6-12/h2-10,19H,1H3/b19-16?,21-20+
InChIKey SWJPHIDXHGJUBJ-XXVXRULJSA-N
Molecular Weight 331.339 g/mol
SMILES N=C1C(=NN(C(N1C)=O)c1ccc(\N=N\c2ccccc2)cc1)C#N
SPLASH splash10-004l-9011000000-397fc8c3ab23ab05b885
Source of Spectrum H-61-1177-0
Synonyms 2-((4-phenylazo)phenyl)-3-oxo-4-methyl-5-imino-6-cyano-2,3,4,5-tetrahydro-1,2,4-triazine 5-imino-4-methyl-3-oxo-2-{4-[(E)-phenyldiazenyl]phenyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Wiley ID 1328604