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Dimethyl 6,13-ethano-14,15-diazapentacene-14,15-dicarboxylate
SpectraBase Compound ID 5ftxLc4lmlf
InChI InChI=1S/C26H20N2O4/c1-31-25(29)27-23-19-11-15-7-3-5-9-17(15)13-21(19)24(28(27)26(30)32-2)22-14-18-10-6-4-8-16(18)12-20(22)23/h3-14,23-24H,1-2H3/t23-,24+
InChIKey JJRZDXFAKBDCMG-PSWAGMNNSA-N
Mol Weight 424.46 g/mol
Molecular Formula C26H20N2O4
Exact Mass 424.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fl9f9Z4b4Fj
Name Dimethyl 6,13-ethano-14,15-diazapentacene-14,15-dicarboxylate
Alternate Name(s) dimethyl 23,24-diazahexacyclo[10.10.2.0(2,11).0(4,9).0(13,22).0(15,20)]tetracosa-2,4,6,8,10,13(22),14,16,18,20-decaene-23,24-dicarboxylate Dimethyl 6,13-diazapentacene-6,13-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C26H20N2O4
InChI InChI=1S/C26H20N2O4/c1-31-25(29)27-23-19-11-15-7-3-5-9-17(15)13-21(19)24(28(27)26(30)32-2)22-14-18-10-6-4-8-16(18)12-20(22)23/h3-14,23-24H,1-2H3/t23-,24+
InChIKey JJRZDXFAKBDCMG-PSWAGMNNSA-N
Molecular Weight 424.456 g/mol
SMILES [C@]12(N(N([C@](c3c2cc2c(c3)cccc2)(c2c1cc1c(c2)cccc1)[H])C(=O)OC)C(=O)OC)[H]
SPLASH splash10-004i-0090000000-c354f481adf959f397a5
Source of Spectrum QC-24-1864-3
Wiley ID 1584254