Spectroscopic (FT-IR, Raman, NMR) and DFT Quantum Chemical Studies on Phenoxyacetic Acid and Its Sodium Salt

<table>Calculated (B3LYP/6-311++G**) as well as experimental chemical shifts: (a) <sup>1</sup>H NMR, (b) <sup>13</sup>C NMR of phenoxyacetic acid (PAA) and its sodium salt (NaPA).</table>

Journal of Spectroscopy

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Figure 2

Figure 2: Spectroscopic (FT-IR, Raman, NMR) and DFT Quantum Chemical Studies on Phenoxyacetic Acid and Its Sodium Salt 