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(3aS,5aS)-2,7-Diphenyl-2,3,3a,5a,6,7-hexahydro-2,3,6,7,8a,8bhexaaza-as-indacene-1,8-dione
SpectraBase Compound ID INRPf5qc1GL
InChI InChI=1S/C18H16N6O2/c25-17-21(13-7-3-1-4-8-13)19-15-11-12-16-20-22(14-9-5-2-6-10-14)18(26)24(16)23(15)17/h1-12,15-16,19-20H/t15-,16-/m0/s1
InChIKey KSNHHCOSVMSJLJ-HOTGVXAUSA-N
Mol Weight 348.37 g/mol
Molecular Formula C18H16N6O2
Exact Mass 348.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OZDVwI7u21
Name (3aS,5aS)-2,7-Diphenyl-2,3,3a,5a,6,7-hexahydro-2,3,6,7,8a,8bhexaaza-as-indacene-1,8-dione
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Formula C18H16N6O2
InChI InChI=1S/C18H16N6O2/c25-17-21(13-7-3-1-4-8-13)19-15-11-12-16-20-22(14-9-5-2-6-10-14)18(26)24(16)23(15)17/h1-12,15-16,19-20H/t15-,16-/m0/s1
InChIKey KSNHHCOSVMSJLJ-HOTGVXAUSA-N
Literature Reference DOI 10.1002/jccs.200200037
Molecular Weight 348.366 g/mol
SMILES N1[C@@]2(C=C[C@@]3(N(N2C(N1c1ccccc1)=O)C(N(N3)c1ccccc1)=O)[H])[H]
SPLASH splash10-004i-9502000000-e8a0bf7d88eaec4710a7
Source of Spectrum QA-49-245-5a
Synonyms (3aS,5aS)-2,7-diphenyl-2,3,3a,5a,6,7-hexahydrobis([1,2,4]triazolo)[4,3-b:3',4'-f]pyridazine-1,8-dione
Wiley ID 1795560