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1,7-Diphenyl-3-(thiophene-2-carbonyl)-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID IEF4r6oEeyW
InChI InChI=1S/C21H14N6O2S/c28-18(16-12-7-13-30-16)19-24-26(15-10-5-2-6-11-15)21-23-22-17(20(29)27(21)25-19)14-8-3-1-4-9-14/h1-13H,(H,24,25)
InChIKey IQIROOZCNVOCKI-UHFFFAOYSA-N
Mol Weight 414.44 g/mol
Molecular Formula C21H14N6O2S
Exact Mass 414.089895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWPZeMALhw3
Name 1,7-Diphenyl-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 C21H14N6O2S
InChI InChI=1S/C21H14N6O2S/c28-18(16-12-7-13-30-16)19-24-26(15-10-5-2-6-11-15)21-23-22-17(20(29)27(21)25-19)14-8-3-1-4-9-14/h1-13H,(H,24,25)
InChIKey IQIROOZCNVOCKI-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 414.443 g/mol
SMILES N1C(=NN(C2=NN=C(C(N12)=O)c1ccccc1)c1ccccc1)C(=O)c1sccc1
SPLASH splash10-03di-2901200000-c13c8af48e85efff18e5
Source of Spectrum JF-342-99-10m
Wiley ID 1766881