上海有机所nmr数据库需注册: NMR核磁波谱数据库www.organchem.csdb.cn/scdb/main/NMR_introduce.asp 德国nmrshift免费: open nmr database on the webnmrshiftdb.nmr.uni-koeln.de/ 日本有机化合物NMR数据库 : AIST:Spectral Database for Organic Compounds,SDBSsdbs.db.aist.go.jp/sdbs/cgi-bin...
This system is characterized by its easy and rapid operation, as well as by the excellent uniqueness of the results. In the present database we have the carbon-13NMR spectra of more than 7000 organic compounds with their corresponding molecular connec科学通报(英文版)蒋大智...
[structure: see text] The feasibility of assembling 3JH,H profiles from NMR data collected on relevant, but not necessarily specific, NMR database compounds representing a given stereocluster was demonstrated. By this approach, the 3JH,H profile was created for the contiguous tetraol peracetate ...
A database of 1H NMR spectra of herbal preparations, stating the composition, may be developed where sample preparation, solvent and TMS variant may be described. 2D TOCSY spectra may also be included as a good spectrum with a large number of peaks should be generally obtained as it is a ...
http://riodb.ibase.aist.go.jp/ssnmr/index_eng.html (4).日本SolicstateNMRdatabase http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi 提供许多有机物的NMR谱图,检索方式多样 网络数据库 第11页/共31页 第12页/共31页 日本SDBS查Me ...
5. Spectral Database for Organic Compounds,SDBS 【地址】https://sdbs.db.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi 这个数据库很好用 SDBS由日本国家先进工业科学技术研究所创办,是一个比较综合的有机化合物的光谱数据库系统,它包含7种不同类型的光谱图。其中有EI-MS,FT-IR,1H-NMR,13C-NMR,Laser...
NMR Spectral Database for Prediction & Identification The AIST NMR Library is a world-class, comprehensive collection of NMR spectra sourced from the National Institute of Advanced Industrial Science and Technology (AIST) and NMRDBTech, Inc.
Assignments of these spectra rely on 50+ years of comprehensive and detailed data, many of which have been cataloged in guides from Sadtler1 and Aldrich2 and subsequently in databases, such as the AIST Spectral Database for Organic Compounds SDBS3....
Spectra were referenced to TSP and exported to Felix (Felix NMR, Inc., San Diego, CA) for peak picking into a database. Data were fitted to Eq. (3) using Levenberg–Marquardt least squares fitting. The NMR assignments for barnase were obtained from BMRB83 entry 496484 and checked. X-...
A total of 57 individual metabolites were identified by the Chenomx database in both plasma and liver. In plasma, 31 of the metabolites were present (Additional file 1: Table S1), whereas 54 metabolites were found in the liver samples (Additional file 1: Table S2). The metabolite identificat...