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2,4-Bis[4'-(methoxycarbonyl)-biphenyl-4-yl]-6-[4'-(methoxycarbonyl)-2-nitrobiphenyl-4-yl)-1,3,5-triazine
SpectraBase Compound ID DC3Q0GNJt8N
InChI InChI=1S/C45H32N4O8/c1-55-43(50)34-18-8-29(9-19-34)27-4-14-32(15-5-27)40-46-41(33-16-6-28(7-17-33)30-10-20-35(21-11-30)44(51)56-2)48-42(47-40)37-24-25-38(39(26-37)49(53)54)31-12-22-36(23-13-31)45(52)57-3/h4-26H,1-3H3
InChIKey ONVCLSGEDAYJAK-UHFFFAOYSA-N
Mol Weight 756.8 g/mol
Molecular Formula C45H32N4O8
Exact Mass 756.222014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dIBZrjzaEE
Name 2,4-Bis[4'-(methoxycarbonyl)-biphenyl-4-yl]-6-[4'-(methoxycarbonyl)-2-nitrobiphenyl-4-yl)-1,3,5-triazine
Appearance Colorless solid
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Formula C45H32N4O8
InChI InChI=1S/C45H32N4O8/c1-55-43(50)34-18-8-29(9-19-34)27-4-14-32(15-5-27)40-46-41(33-16-6-28(7-17-33)30-10-20-35(21-11-30)44(51)56-2)48-42(47-40)37-24-25-38(39(26-37)49(53)54)31-12-22-36(23-13-31)45(52)57-3/h4-26H,1-3H3
InChIKey ONVCLSGEDAYJAK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.219
Molecular Weight 756.771 g/mol
Reported Formula C45H32N4O8
SMILES c1(nc(nc(n1)-c1ccc(cc1)-c1ccc(cc1)C(OC)=O)-c1ccc(cc1)-c1ccc(cc1)C(OC)=O)-c1cc(c(cc1)-c1ccc(cc1)C(OC)=O)[N+]([O-])=O
SPLASH splash10-056r-0370000900-73ab6ced760a7ec2cc3d
Source of Spectrum BJO-12-SM14-16b
Thin-Layer Chromatography Rf = 0.69 (silicagel, cyclohexane/ethyl acetate, 1:1)
Wiley ID 1851766