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bis{3-Nitro-4-[methyl(5'-methylpyridin-2'-yl)carbonylamino]phenyl}-methane
SpectraBase Compound ID G3YUduiehBj
InChI InChI=1S/C29H26N6O6/c1-18-5-9-22(30-16-18)28(36)32(3)24-11-7-20(14-26(24)34(38)39)13-21-8-12-25(27(15-21)35(40)41)33(4)29(37)23-10-6-19(2)17-31-23/h5-12,14-17H,13H2,1-4H3
InChIKey CEYMSHFEIDJNKO-UHFFFAOYSA-N
Mol Weight 554.56 g/mol
Molecular Formula C29H26N6O6
Exact Mass 554.191383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0wAnEnJJ4q
Name bis{3-Nitro-4-[methyl(5'-methylpyridin-2'-yl)carbonylamino]phenyl}-methane
Comments Less than 3 mono-isotopic peaks
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Formula C29H26N6O6
InChI InChI=1S/C29H26N6O6/c1-18-5-9-22(30-16-18)28(36)32(3)24-11-7-20(14-26(24)34(38)39)13-21-8-12-25(27(15-21)35(40)41)33(4)29(37)23-10-6-19(2)17-31-23/h5-12,14-17H,13H2,1-4H3
InChIKey CEYMSHFEIDJNKO-UHFFFAOYSA-N
Molecular Weight 554.563 g/mol
SMILES c1(N(=O)=O)c(N(C(c2ncc(cc2)C)=O)C)ccc(c1)Cc1cc(N(=O)=O)c(cc1)N(C(c1ncc(cc1)C)=O)C
SPLASH splash10-0bt9-0000590000-ee2957228b0c07362804
Source of Spectrum C-119-2494-9a
Wiley ID 1699121