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- W3005527085 abstract "This paper presents experimental data regarding the synthesis and structural characterization by: 1H-NMR, 13C-NMR, IR spectral analysis, melting point and thin layer chromatography of the candesartan key intermediate: methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate. In addition, a computational study of predicted molecular parameters, vibrational wavenumbers, frontier molecular orbitals energy diagram, molecular electrostatic potential map and other electronic distributions maps using restricted hybrid HF-DFT SCF calculation has been performed for obtaining the most stable conformer. For the most Stable conformer has been made a series of DFT calculations using the B3LYP levels using the 6-31G * basis set." @default.
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- W3005527085 date "2019-01-15" @default.
- W3005527085 modified "2023-10-15" @default.
- W3005527085 title "Design and Synthesis of the Candesartan Key Intermediate" @default.
- W3005527085 doi "https://doi.org/10.37358/rc.18.12.6767" @default.
- W3005527085 hasPublicationYear "2019" @default.
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