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7-Methyl-1-phenyl-3-(thiophene-2-carbonyl)-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID HpYkcFecXPK
InChI InChI=1S/C16H12N6O2S/c1-10-15(24)22-16(18-17-10)21(11-6-3-2-4-7-11)19-14(20-22)13(23)12-8-5-9-25-12/h2-9H,1H3,(H,19,20)
InChIKey HXHZRRLQIRFZAA-UHFFFAOYSA-N
Mol Weight 352.37 g/mol
Molecular Formula C16H12N6O2S
Exact Mass 352.074245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5knKmIZXT2
Name 7-Methyl-1-phenyl-3-(thiophene-2-carbonyl)-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N6O2S
InChI InChI=1S/C16H12N6O2S/c1-10-15(24)22-16(18-17-10)21(11-6-3-2-4-7-11)19-14(20-22)13(23)12-8-5-9-25-12/h2-9H,1H3,(H,19,20)
InChIKey HXHZRRLQIRFZAA-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 352.372 g/mol
SMILES N1C(=NN(C2=NN=C(C(N12)=O)C)c1ccccc1)C(=O)c1sccc1
SPLASH splash10-03di-1904000000-147569267f9ccc89347c
Source of Spectrum JF-342-98-9m
Wiley ID 1766888