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2-Amino-1,3-bisethoxycarbonyl-6,2'-biazulene
SpectraBase Compound ID K5YoCqRKBtJ
InChI InChI=1S/C26H23NO4/c1-3-30-25(28)22-20-12-10-16(19-14-17-8-6-5-7-9-18(17)15-19)11-13-21(20)23(24(22)27)26(29)31-4-2/h5-15H,3-4,27H2,1-2H3
InChIKey KGCDLVDATOMYMK-UHFFFAOYSA-N
Mol Weight 413.47 g/mol
Molecular Formula C26H23NO4
Exact Mass 413.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoEp8yIqnxX
Name 2-Amino-1,3-bisethoxycarbonyl-6,2'-biazulene
Alternate Name(s) 1,3-Diethyl 2-amino-6-(azulen-2-yl)azulene-1,3-dicarboxylate
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Formula C26H23NO4
InChI InChI=1S/C26H23NO4/c1-3-30-25(28)22-20-12-10-16(19-14-17-8-6-5-7-9-18(17)15-19)11-13-21(20)23(24(22)27)26(29)31-4-2/h5-15H,3-4,27H2,1-2H3
InChIKey KGCDLVDATOMYMK-UHFFFAOYSA-N
Molecular Weight 413.473 g/mol
SMILES Nc1c(C(=O)OCC)c2c(c1C(=O)OCC)ccc(-c1cc3cccccc3c1)cc2
SPLASH splash10-01ot-0091800000-9cd06a3ee1ebbb401742
Source of Spectrum C5-2002-1015-10
Wiley ID 1614659