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Dimethyl (P)-1,12-Dimethyl-4,9-dinitrobenzo[c]phenanthrene-5,8-dicarboxylate
SpectraBase Compound ID 1tjuHx1Xfvn
InChI InChI=1S/C24H18N2O8/c1-11-5-7-16(25(29)30)21-14(23(27)33-3)9-13-10-15(24(28)34-4)22-17(26(31)32)8-6-12(2)19(22)20(13)18(11)21/h5-10H,1-4H3
InChIKey YYHPCVHVDWHFHP-UHFFFAOYSA-N
Mol Weight 462.41 g/mol
Molecular Formula C24H18N2O8
Exact Mass 462.106316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5q1NtLYZG8Z
Name Dimethyl (P)-1,12-Dimethyl-4,9-dinitrobenzo[c]phenanthrene-5,8-dicarboxylate
Alternate Name(s) 1,12-dimethyl-4,9-dinitrobenzo[c]phenanthrene-5,8-dicarboxylic acid dimethyl ester dimethyl 1,12-dimethyl-4,9-dinitrobenzo[c]phenanthrene-5,8-dicarboxylate dimethyl 1,12-dimethyl-4,9-dinitro-benzo[c]phenanthrene-5,8-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C24H18N2O8
InChI InChI=1S/C24H18N2O8/c1-11-5-7-16(25(29)30)21-14(23(27)33-3)9-13-10-15(24(28)34-4)22-17(26(31)32)8-6-12(2)19(22)20(13)18(11)21/h5-10H,1-4H3
InChIKey YYHPCVHVDWHFHP-UHFFFAOYSA-N
Molecular Weight 462.414 g/mol
SMILES c12c(cc3c(c2c(C)ccc1N(=O)=O)c1c(c(N(=O)=O)ccc1C)c(c3)C(=O)OC)C(=O)OC
SPLASH splash10-014i-0000900000-3883466306fd82da7e7b
Source of Spectrum J-66-560-9
Wiley ID 1534241