NMR Assignments of 6-(4-chlorophenoxy)-tetrazolo[5,1-a]phthalazine

NMR Assignments of 6-(4-chlorophenoxy)-tetrazolo[5,1-a]phthalazine

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6-(4-chlorophenoxy)-tetrazolo[5,1-a]phthalazine is a national class I innovative antiepileptic drug candidate in clinical trials with independent intellectual property rights.The 1H, 13C and 15N NMR spectra of the compound were acquired at A rationale for a museum of health 500 MHz.Aided by GIAO (Gauge-Independent Atomic Orbital)-NMR quantum chemistry calculation, the chemical shifts of the compound Evolution of the internal load and physical condition of wheelchair basketball players during the competitive season were assigned, providing elaborate structural information of the compound.Linear regression comparison results showed good consistency between the theoretical predictions and the experimental data for structural elucidations.