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2,6-Bis(2-amino-1,3-bisethoxycarbonyl-6-azulenyl)pyridine
SpectraBase Compound ID IKVPEnbE54
InChI InChI=1S/C37H35N3O8/c1-5-45-34(41)28-22-16-12-20(13-17-23(22)29(32(28)38)35(42)46-6-2)26-10-9-11-27(40-26)21-14-18-24-25(19-15-21)31(37(44)48-8-4)33(39)30(24)36(43)47-7-3/h9-19H,5-8,38-39H2,1-4H3
InChIKey YJRMSAAPXGCQOJ-UHFFFAOYSA-N
Mol Weight 649.7 g/mol
Molecular Formula C37H35N3O8
Exact Mass 649.242415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86pD8HUq7oI
Name 2,6-Bis(2-amino-1,3-bisethoxycarbonyl-6-azulenyl)pyridine
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Formula C37H35N3O8
InChI InChI=1S/C37H35N3O8/c1-5-45-34(41)28-22-16-12-20(13-17-23(22)29(32(28)38)35(42)46-6-2)26-10-9-11-27(40-26)21-14-18-24-25(19-15-21)31(37(44)48-8-4)33(39)30(24)36(43)47-7-3/h9-19H,5-8,38-39H2,1-4H3
InChIKey YJRMSAAPXGCQOJ-UHFFFAOYSA-N
Molecular Weight 649.700 g/mol
SMILES Nc1c(c2ccc(-c3nc(-c4ccc5c(c(c(c5C(=O)OCC)N)C(=O)OCC)cc4)ccc3)ccc2c1C(=O)OCC)C(=O)OCC
SPLASH splash10-01ot-0060809000-4ecabe3d294bb66625e5
Source of Spectrum C5-2002-1016-13
Synonyms Diethyl 2-amino-6-{6-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-2-pyridinyl}-1,3-azulenedicarboxylate
Wiley ID 1614657