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2-(4-nitrophenyl)acetic acid methyl ester
SpectraBase Compound ID BT2UfOqcAEX
InChI InChI=1S/C9H9NO4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3
InChIKey PQRGTRBYCFLHKY-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sscIRjFqyG
Name 2-(4-nitrophenyl)acetic acid methyl ester
Alternate Name(s) methyl (4-nitrophenyl)acetate methyl 2-(4-nitrophenyl)acetate methyl 2-(4-nitrophenyl)ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3
InChIKey PQRGTRBYCFLHKY-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES C(Cc1ccc(cc1)N(=O)=O)(=O)OC
SPLASH splash10-000i-0900000000-7b7798bd632cebf2b60a
Source of Spectrum I-78-359-8
Wiley ID 748074