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3-Methylbenzoic acid (4-nitrophenyl) ester
SpectraBase Compound ID E7dPHRIQIQM
InChI InChI=1S/C14H11NO4/c1-10-3-2-4-11(9-10)14(16)19-13-7-5-12(6-8-13)15(17)18/h2-9H,1H3
InChIKey CWXGZYLOHXHWAL-UHFFFAOYSA-N
Mol Weight 257.24 g/mol
Molecular Formula C14H11NO4
Exact Mass 257.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18nWfwcu6PR
Name 3-Methylbenzoic acid (4-nitrophenyl) ester
Alternate Name(s) m-Toluic acid, 4-nitrophenyl ester (4-nitrophenyl) 3-methylbenzoate
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Formula C14H11NO4
InChI InChI=1S/C14H11NO4/c1-10-3-2-4-11(9-10)14(16)19-13-7-5-12(6-8-13)15(17)18/h2-9H,1H3
InChIKey CWXGZYLOHXHWAL-UHFFFAOYSA-N
Molecular Weight 257.245 g/mol
SMILES c1c(cc(cc1)C(Oc1ccc(cc1)N(=O)=O)=O)C
SPLASH splash10-014i-4900000000-21c6b07630f682f17097
Source of Spectrum NP-7-5376-0
Wiley ID 1106583