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3-(2-naphthoyl)-1-(4-chlorophenyl)-7-methyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID 3trrTGiQC3c
InChI InChI=1S/C22H15ClN6O2/c1-13-21(31)29-22(25-24-13)28(18-10-8-17(23)9-11-18)26-20(27-29)19(30)16-7-6-14-4-2-3-5-15(14)12-16/h2-12H,1H3,(H,26,27)
InChIKey GPISXVOLPQNMFS-UHFFFAOYSA-N
Mol Weight 430.86 g/mol
Molecular Formula C22H15ClN6O2
Exact Mass 430.094501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1nWnmvF7YT
Name 3-(2-naphthoyl)-1-(4-chlorophenyl)-7-methyl-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 C22H15ClN6O2
InChI InChI=1S/C22H15ClN6O2/c1-13-21(31)29-22(25-24-13)28(18-10-8-17(23)9-11-18)26-20(27-29)19(30)16-7-6-14-4-2-3-5-15(14)12-16/h2-12H,1H3,(H,26,27)
InChIKey GPISXVOLPQNMFS-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_96
Molecular Weight 430.855 g/mol
SMILES N1C(=NN(C2=NN=C(C(N12)=O)C)c1ccc(cc1)Cl)C(=O)c1ccc2c(c1)cccc2
SPLASH splash10-004i-0910100000-360dbda874705693c79e
Source of Spectrum JF-342-98-9k
Wiley ID 1766887