遇见数据集

Supporting data for the "Redox Behaviour of Nitro-Fatty Acids and Their Esters" manuscript

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Zenodo2025-10-31 更新2026-05-26 收录
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资源简介:

The dataset contains zip files (28 files), which contain 1H and 13C spectra (FID spectra) of the compounds (27 files), and in two cases (NLE.zip and NOE.zip) 2D NMR spectra of compounds are added. The list of all compounds is included in the "2025 - 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.

本数据集包含28个压缩包文件,其中27个压缩包存储了对应化合物的氢谱(¹H)、碳谱(¹³C)以及自由感应衰减谱(Free Induction Decay, FID);另有两个压缩包(NLE.zip与NOE.zip)额外添加了化合物的二维核磁共振(2D NMR)谱图。所有化合物的列表收录于"2025 - Compound list.pdf"文件中,该文件按字母顺序排列了化合物清单,化合物的名称与编号与手稿中完全一致。针对每一种物质,均已为其匹配对应的分子结构以及所附带的谱图列表。 核磁共振(NMR)原始数据(FID)可通过所有主流核磁共振谱图处理软件进行读取与处理,其中包括免费在线核磁共振谱图可视化、分析与处理软件NMRium。 已处理的核磁共振谱图文件(*.mnova)可使用MestReNova软件12.0及更高版本进行打开与查看。

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Zenodo
创建时间:
2025-02-28
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