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1,3-Benzenedicarboxylic acid, 5-hydroxy-2-nitro-, dimethyl ester
SpectraBase Compound ID BFMg7PEoBMZ
InChI InChI=1S/C10H9NO7/c1-17-9(13)6-3-5(12)4-7(10(14)18-2)8(6)11(15)16/h3-4,12H,1-2H3
InChIKey PQRIBRIROFCBQX-UHFFFAOYSA-N
Mol Weight 255.18 g/mol
Molecular Formula C10H9NO7
Exact Mass 255.037902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7ouKmwMpT7
Name 1,3-Benzenedicarboxylic acid, 5-hydroxy-2-nitro-, dimethyl ester
Alternate Name(s) Dimethyl 5-hydroxy-2-nitroisophthalate Dimethyl 5-hydroxy-2-nitrobenzene-1,3-dicarboxylate 5-Hydroxy-2-nitrobenzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-hydroxy-2-nitro-benzene-1,3-dicarboxylate Dimethyl 2-nitro-5-oxidanyl-benzene-1,3-dicarboxylate
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Formula C10H9NO7
InChI InChI=1S/C10H9NO7/c1-17-9(13)6-3-5(12)4-7(10(14)18-2)8(6)11(15)16/h3-4,12H,1-2H3
InChIKey PQRIBRIROFCBQX-UHFFFAOYSA-N
Molecular Weight 255.182 g/mol
SMILES Oc1cc(C(OC)=O)c(c(c1)C(=O)OC)[N+]([O-])=O
SPLASH splash10-01r6-9410000000-155005cdf3128d22d49c
Source of Spectrum JX-2015-1-870
Wiley ID 1721641