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Diethyl 6,13-ethano-14,15-diazapentacene-14,15-dicarboxylate
SpectraBase Compound ID ByAHuZ4lgNI
InChI InChI=1S/C28H24N2O4/c1-3-33-27(31)29-25-21-13-17-9-5-7-11-19(17)15-23(21)26(30(29)28(32)34-4-2)24-16-20-12-8-6-10-18(20)14-22(24)25/h5-16,25-26H,3-4H2,1-2H3/t25-,26+
InChIKey YTFQQISNOZAXJT-WMPKNSHKSA-N
Mol Weight 452.51 g/mol
Molecular Formula C28H24N2O4
Exact Mass 452.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoYLZWvNb4K
Name Diethyl 6,13-ethano-14,15-diazapentacene-14,15-dicarboxylate
Alternate Name(s) diethyl 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 Diethyl 6,13-diazapentacene-6,13-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C28H24N2O4
InChI InChI=1S/C28H24N2O4/c1-3-33-27(31)29-25-21-13-17-9-5-7-11-19(17)15-23(21)26(30(29)28(32)34-4-2)24-16-20-12-8-6-10-18(20)14-22(24)25/h5-16,25-26H,3-4H2,1-2H3/t25-,26+
InChIKey YTFQQISNOZAXJT-WMPKNSHKSA-N
Molecular Weight 452.510 g/mol
SMILES [C@]12(N(N([C@](c3c2cc2c(c3)cccc2)(c2c1cc1c(c2)cccc1)[H])C(=O)OCC)C(=O)OCC)[H]
SPLASH splash10-004i-0090000000-335f8dee6917da67ad4a
Source of Spectrum QC-24-1864-3
Wiley ID 1584253