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4-[3-(4-carbomethoxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid methyl ester
SpectraBase Compound ID I4aui3Q2r9D
InChI InChI=1S/C21H22N2O12/c1-30-16-8-12(20(24)32-3)14(22(26)27)10-18(16)34-6-5-7-35-19-11-15(23(28)29)13(21(25)33-4)9-17(19)31-2/h8-11H,5-7H2,1-4H3
InChIKey JVIQDBZLONFCTD-UHFFFAOYSA-N
Mol Weight 494.41 g/mol
Molecular Formula C21H22N2O12
Exact Mass 494.117274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA8dsNmIIYn
Name 4-[3-(4-carbomethoxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid methyl ester
Alternate Name(s) 5-Methoxy-4-[3-(2-methoxy-4-methoxycarbonyl-5-nitrophenoxy)propoxy]-2-nitrobenzoic acid methyl ester Methyl 5-methoxy-4-[3-(2-methoxy-4-methoxycarbonyl-5-nitrophenoxy)propoxy]-2-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O12
InChI InChI=1S/C21H22N2O12/c1-30-16-8-12(20(24)32-3)14(22(26)27)10-18(16)34-6-5-7-35-19-11-15(23(28)29)13(21(25)33-4)9-17(19)31-2/h8-11H,5-7H2,1-4H3
InChIKey JVIQDBZLONFCTD-UHFFFAOYSA-N
Molecular Weight 494.409 g/mol
SMILES c1(c(N(=O)=O)cc(c(c1)OC)OCCCOc1cc(N(=O)=O)c(cc1OC)C(=O)OC)C(=O)OC
SPLASH splash10-0006-9270400000-bd50c9025c3672c37f5e
Source of Spectrum J-61-8145-8
Wiley ID 1397820