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Triethyl 2'-(1H-pyrrol-1-yl)-6,6''-bis((E)-pyrrolidin-1-yldiazenyl)-[1,1':3',1''-terphenyl]-3,3'',5'-tricarboxylate
SpectraBase Compound ID EnaqfFyUGiU
InChI InChI=1S/C39H43N7O6/c1-4-50-37(47)27-13-15-34(40-42-45-19-9-10-20-45)30(23-27)32-25-29(39(49)52-6-3)26-33(36(32)44-17-7-8-18-44)31-24-28(38(48)51-5-2)14-16-35(31)41-43-46-21-11-12-22-46/h7-8,13-18,23-26H,4-6,9-12,19-22H2,1-3H3/b42-40+,43-41+
InChIKey XEEYPVANYKLXMA-IZRQRQPJSA-N
Mol Weight 705.8 g/mol
Molecular Formula C39H43N7O6
Exact Mass 705.327482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0WVSgUMkae
Name Triethyl 2'-(1H-pyrrol-1-yl)-6,6''-bis((E)-pyrrolidin-1-yldiazenyl)-[1,1':3',1''-terphenyl]-3,3'',5'-tricarboxylate
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Formula C39H43N7O6
InChI InChI=1S/C39H43N7O6/c1-4-50-37(47)27-13-15-34(40-42-45-19-9-10-20-45)30(23-27)32-25-29(39(49)52-6-3)26-33(36(32)44-17-7-8-18-44)31-24-28(38(48)51-5-2)14-16-35(31)41-43-46-21-11-12-22-46/h7-8,13-18,23-26H,4-6,9-12,19-22H2,1-3H3/b42-40+,43-41+
InChIKey XEEYPVANYKLXMA-IZRQRQPJSA-N
Molecular Weight 705.816 g/mol
SMILES c1(c(-[n]2cccc2)c(-c2cc(C(OCC)=O)ccc2\N=N\N2CCCC2)cc(c1)C(OCC)=O)-c1cc(ccc1\N=N\N1CCCC1)C(=O)OCC
SPLASH splash10-0a4i-0003490000-fc9c671a8f1dee889bb5
Source of Spectrum ACI-51-SMS-25-7
Wiley ID 1780880