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4a,9 : 10,14b-bis(ortho-Benzeno)pyridazino[4,5-a]-dibenzo[c,g]cyclooctene
SpectraBase Compound ID G2FoTbQN4pf
InChI InChI=1S/C30H18N2/c1-5-13-23-19(9-1)27-20-10-2-6-14-24(20)29(23)17-31-32-18-30(29)25-15-7-3-11-21(25)28(27)22-12-4-8-16-26(22)30/h1-18H/b28-27-/t29-,30+
InChIKey OBPHUEJGIZVUDT-RWESATMJSA-N
Mol Weight 406.49 g/mol
Molecular Formula C30H18N2
Exact Mass 406.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RaaGBUBW4Z
Name 4a,9 : 10,14b-bis(ortho-Benzeno)pyridazino[4,5-a]-dibenzo[c,g]cyclooctene
Alternate Name(s) 3,4-diazaoctacyclo[12.6.6.6(6,13).0(1,6).0(7,12).0(15,20).0(21,26).0(27,32)]dotriaconta-2,4,7,9,11,13,15,17,19,21,23,25,27,29,31-pentadecaene
Comments Less than 3 mono-isotopic peaks
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Formula C30H18N2
InChI InChI=1S/C30H18N2/c1-5-13-23-19(9-1)27-20-10-2-6-14-24(20)29(23)17-31-32-18-30(29)25-15-7-3-11-21(25)28(27)22-12-4-8-16-26(22)30/h1-18H/b28-27-/t29-,30+
InChIKey OBPHUEJGIZVUDT-RWESATMJSA-N
Molecular Weight 406.488 g/mol
SMILES C123C4(c5c(cccc5)C(=C(c5c1cccc5)c1c2cccc1)c1c4cccc1)C=NN=C3
SPLASH splash10-004i-0009200000-f16f3fb4a3f574c53733
Source of Spectrum U-1997-1476-5
Wiley ID 769993