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benzoic acid, 3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitro-, methyl ester
SpectraBase Compound ID KLPt9kxEdSw
InChI InChI=1S/C17H12N2O7/c1-26-17(23)9-6-10(14(20)13(7-9)19(24)25)8-18-15(21)11-4-2-3-5-12(11)16(18)22/h2-7,20H,8H2,1H3
InChIKey HAIYABUPJWVPCY-UHFFFAOYSA-N
Mol Weight 356.29 g/mol
Molecular Formula C17H12N2O7
Exact Mass 356.064451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4roAAmDMzA
Name 3-[(1,3-dioxo-2-isoindolyl)methyl]-4-hydroxy-5-nitrobenzoic acid methyl ester
Alternate Name(s) 4-Hydroxy-3-nitro-5-(phthalimidomethyl)benzoic acid methyl ester Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate Methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate Methyl 3-[(1,3-dioxoisoindolin-2-yl)methyl]-4-hydroxy-5-nitro-benzoate Methyl 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-nitro-4-oxidanyl-benzoate
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Formula C17H12N2O7
InChI InChI=1S/C17H12N2O7/c1-26-17(23)9-6-10(14(20)13(7-9)19(24)25)8-18-15(21)11-4-2-3-5-12(11)16(18)22/h2-7,20H,8H2,1H3
InChIKey HAIYABUPJWVPCY-UHFFFAOYSA-N
Molecular Weight 356.290 g/mol
SMILES Oc1c(N(=O)=O)cc(cc1CN1C(c2ccccc2C1=O)=O)C(=O)OC
SPLASH splash10-0fb9-6911000000-eba0c00d56806a61f4bb
Wiley ID 1453013