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Indolo[2,3-A]carbazole-11,12-dicarboxylic acid ditert-butyl ester
SpectraBase Compound ID DG42K4UuZD5
InChI InChI=1S/C28H28N2O4/c1-27(2,3)33-25(31)29-21-13-9-7-11-17(21)19-15-16-20-18-12-8-10-14-22(18)30(24(20)23(19)29)26(32)34-28(4,5)6/h7-16H,1-6H3
InChIKey LPBLYTKFPCEGON-UHFFFAOYSA-N
Mol Weight 456.54 g/mol
Molecular Formula C28H28N2O4
Exact Mass 456.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5mXCACVlt9
Name Indolo[2,3-A]carbazole-11,12-dicarboxylic acid ditert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.204907386 u
Formula C28H28N2O4
InChI InChI=1S/C28H28N2O4/c1-27(2,3)33-25(31)29-21-13-9-7-11-17(21)19-15-16-20-18-12-8-10-14-22(18)30(24(20)23(19)29)26(32)34-28(4,5)6/h7-16H,1-6H3
InChIKey LPBLYTKFPCEGON-UHFFFAOYSA-N
Molecular Weight 456.542 g/mol
SMILES C=12N(C3=C(C1C=CC=1C=4C=CC=CC4N(C21)C(OC(C)(C)C)=O)C=CC=C3)C(OC(C)(C)C)=O