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(3aS,5aS)-2,7-Di(p-methylphenyl)-2,3,3a,5a,6,7-hexahydro-2,3,6,7,8a,8b-hexaaza-as-indacene-1,8-dione
SpectraBase Compound ID BvwbBCevMRO
InChI InChI=1S/C20H20N6O2/c1-13-3-7-15(8-4-13)23-19(27)25-17(21-23)11-12-18-22-24(20(28)26(18)25)16-9-5-14(2)6-10-16/h3-12,17-18,21-22H,1-2H3/t17-,18-/m0/s1
InChIKey NWBHZGOVZZXADS-ROUUACIJSA-N
Mol Weight 376.42 g/mol
Molecular Formula C20H20N6O2
Exact Mass 376.164774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFIAtc0VXHL
Name (3aS,5aS)-2,7-Di(p-methylphenyl)-2,3,3a,5a,6,7-hexahydro-2,3,6,7,8a,8b-hexaaza-as-indacene-1,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N6O2
InChI InChI=1S/C20H20N6O2/c1-13-3-7-15(8-4-13)23-19(27)25-17(21-23)11-12-18-22-24(20(28)26(18)25)16-9-5-14(2)6-10-16/h3-12,17-18,21-22H,1-2H3/t17-,18-/m0/s1
InChIKey NWBHZGOVZZXADS-ROUUACIJSA-N
Literature Reference DOI 10.1002/jccs.200200037
Molecular Weight 376.420 g/mol
SMILES N1[C@@]2(C=C[C@@]3(N(N2C(N1c1ccc(cc1)C)=O)C(N(N3)c1ccc(cc1)C)=O)[H])[H]
SPLASH splash10-054o-9805000000-4bba42b12f3c6fd59541
Source of Spectrum QA-49-245-5b
Synonyms (3aS,5aS)-2,7-di-p-tolyl-2,3,3a,5a,6,7-hexahydrobis([1,2,4]triazolo)[4,3-b:3',4'-f]pyridazine-1,8-dione
Wiley ID 1795561