Chiral Tag Rotational Spectroscopy Analysis of Isopropyl Methyl Cyclohexane
收藏Zenodo2025-05-23 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.15499294
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The absolute configuration and enantiomeric excess of an enantioenriched sample of isopropyl methyl cyclohexane has been determined using the chiral tag rotational spectroscopy method. Propylene oxide is used as the tag molecule. Additional structure validation is porvided through the shifts in the rotational constants when propyle oxide-d3 (methyl detuerated) is used as the tag. The analysis of the enantioenriched sample is performed using a BrightSpec IsoMRR instrument. All spectra, spectrum fits, and quantum chemistry results needed for the analysis are provided.
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Zenodo创建时间：
2025-05-23
