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2,2'-Diamino-1,1',3,3'-tetraethoxycarbonyl-6,6'-biazulene
SpectraBase Compound ID 43JkzK3vrh5
InChI InChI=1S/C32H32N2O8/c1-5-39-29(35)23-19-13-9-17(10-14-20(19)24(27(23)33)30(36)40-6-2)18-11-15-21-22(16-12-18)26(32(38)42-8-4)28(34)25(21)31(37)41-7-3/h9-16H,5-8,33-34H2,1-4H3
InChIKey HLARMECOWFYZGN-UHFFFAOYSA-N
Mol Weight 572.6 g/mol
Molecular Formula C32H32N2O8
Exact Mass 572.215866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7svmuyIrCK
Name 2,2'-Diamino-1,1',3,3'-tetraethoxycarbonyl-6,6'-biazulene
Comments Removed - expert review: contamination (DOP)
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Formula C32H32N2O8
InChI InChI=1S/C32H32N2O8/c1-5-39-29(35)23-19-13-9-17(10-14-20(19)24(27(23)33)30(36)40-6-2)18-11-15-21-22(16-12-18)26(32(38)42-8-4)28(34)25(21)31(37)41-7-3/h9-16H,5-8,33-34H2,1-4H3
InChIKey HLARMECOWFYZGN-UHFFFAOYSA-N
Molecular Weight 572.614 g/mol
SMILES Nc1c(c2ccc(-c3ccc4c(c(c(c4C(=O)OCC)N)C(=O)OCC)cc3)ccc2c1C(=O)OCC)C(=O)OCC
SPLASH splash10-0002-0900000000-b344ef793ad1679706fc
Source of Spectrum C5-2002-1015-11
Synonyms 1,3-diethyl 2-amino-6-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]azulene-1,3-dicarboxylate 2,2'-Diamino-1,1',3,3'-tetrakisethoxycarbonyl-6,2'-biazulene
Wiley ID 1614658