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4-[5-(4-carbomethoxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid methyl ester
SpectraBase Compound ID JP0MCPoxLl
InChI InChI=1S/C23H26N2O12/c1-32-18-10-14(22(26)34-3)16(24(28)29)12-20(18)36-8-6-5-7-9-37-21-13-17(25(30)31)15(23(27)35-4)11-19(21)33-2/h10-13H,5-9H2,1-4H3
InChIKey OIHDBQCFLXDJAW-UHFFFAOYSA-N
Mol Weight 522.46 g/mol
Molecular Formula C23H26N2O12
Exact Mass 522.148574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ij7NRG6ThGz
Name 4-[5-(4-carbomethoxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid methyl ester
Alternate Name(s) 5-Methoxy-4-[5-(2-methoxy-4-methoxycarbonyl-5-nitrophenoxy)pentoxy]-2-nitrobenzoic acid methyl ester Methyl 5-methoxy-4-[5-(2-methoxy-4-methoxycarbonyl-5-nitro-phenoxy)pentoxy]-2-nitro-benzoate
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Formula C23H26N2O12
InChI InChI=1S/C23H26N2O12/c1-32-18-10-14(22(26)34-3)16(24(28)29)12-20(18)36-8-6-5-7-9-37-21-13-17(25(30)31)15(23(27)35-4)11-19(21)33-2/h10-13H,5-9H2,1-4H3
InChIKey OIHDBQCFLXDJAW-UHFFFAOYSA-N
Molecular Weight 522.463 g/mol
SMILES c1(c(N(=O)=O)cc(c(c1)OC)OCCCCCOc1cc(N(=O)=O)c(cc1OC)C(=O)OC)C(=O)OC
SPLASH splash10-06r7-9470210000-2b35b766ca4d5780e5ea
Source of Spectrum J-61-8145-8
Wiley ID 1402198