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Dimethyl (P)-1,12-Dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylate
SpectraBase Compound ID 93ImnqiWSYb
InChI InChI=1S/C24H16N4O12/c1-9-14(25(31)32)7-16(27(35)36)21-12(23(29)39-3)5-11-6-13(24(30)40-4)22-17(28(37)38)8-15(26(33)34)10(2)19(22)20(11)18(9)21/h5-8H,1-4H3
InChIKey GHOVKNPLUYKWBY-UHFFFAOYSA-N
Mol Weight 552.41 g/mol
Molecular Formula C24H16N4O12
Exact Mass 552.076472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mj8sMWI30R
Name Dimethyl (P)-1,12-Dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylate
Alternate Name(s) 1,12-dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylic acid dimethyl ester Dimethyl 1,12-dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylate Dimethyl 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylate
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Formula C24H16N4O12
InChI InChI=1S/C24H16N4O12/c1-9-14(25(31)32)7-16(27(35)36)21-12(23(29)39-3)5-11-6-13(24(30)40-4)22-17(28(37)38)8-15(26(33)34)10(2)19(22)20(11)18(9)21/h5-8H,1-4H3
InChIKey GHOVKNPLUYKWBY-UHFFFAOYSA-N
Molecular Weight 552.408 g/mol
SMILES c1(c2c(c3c4c(c(N(=O)=O)cc(c4C)N(=O)=O)c(cc3cc2C(=O)OC)C(=O)OC)c(c(c1)N(=O)=O)C)N(=O)=O
SPLASH splash10-0a4i-0000090000-a7b457dfcef09288c0c1
Source of Spectrum J-66-560-6
Wiley ID 1534238