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3-(2-naphthoyl)-1-(4-chlorophenyl)-7-phenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID HWlBFmnhHpB
InChI InChI=1S/C27H17ClN6O2/c28-21-12-14-22(15-13-21)33-27-30-29-23(18-7-2-1-3-8-18)26(36)34(27)32-25(31-33)24(35)20-11-10-17-6-4-5-9-19(17)16-20/h1-16H,(H,31,32)
InChIKey YJCIAHMARCYVAT-UHFFFAOYSA-N
Mol Weight 492.93 g/mol
Molecular Formula C27H17ClN6O2
Exact Mass 492.110152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OJl5KiF5qC
Name 3-(2-naphthoyl)-1-(4-chlorophenyl)-7-phenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17ClN6O2
InChI InChI=1S/C27H17ClN6O2/c28-21-12-14-22(15-13-21)33-27-30-29-23(18-7-2-1-3-8-18)26(36)34(27)32-25(31-33)24(35)20-11-10-17-6-4-5-9-19(17)16-20/h1-16H,(H,31,32)
InChIKey YJCIAHMARCYVAT-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 492.926 g/mol
SMILES N1C(=NN(C=2N1C(C(=NN2)c1ccccc1)=O)c1ccc(cc1)Cl)C(=O)c1ccc2c(c1)cccc2
SPLASH splash10-0a6u-0900400000-835373f62619a260e882
Source of Spectrum JF-342-99-10k
Wiley ID 1766879