遇见数据集

Raw data for compounds included in manuscript "Base‑Promoted C→N Carbonyl Shift Enables One‑Step Access to Aza‑β‑Lactams from α‑Heteroaryl‑α‑Amino Esters"

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Zenodo2026-05-09 更新2026-05-26 收录
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资源简介:

The dataset contains zip files (42 files), which contain 1H spectra (FID spectra) of compounds (42 files), and 13C spectra (FID spectra) of the compounds (42 files), HRMS reports (38 files), HPLC chromatograms (1 file), advanced 2D NMR spectra (3 files). One file contains cif file (X-Ray data). The list of all compounds is included in the "2026 - Aza-B-lactam - compound list.pdf" file. This file contains a list of compounds sorted in alphabetical order. The name/number of compounds is the same as in the manuscript. For each substance, the structure and the list of attached spectra are assigned. The NMR data (FID) can be opened and treated using all available NMR spectra processing software including freely available NMRium - Visualize, analyze and process NMR spectra online software. Processed NMR spectra (*.mnova) can be accessed with MestReNova software version 12.0 and higher. HPLC chromatograms (*.raw) can be accessed with MassLynx software version V4.1 and higher. X-ray data (*.cif) can be accessed with Mercury software version 3.8 and higher.

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Zenodo
创建时间:
2026-02-19
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