上海有机化学所:化学数据库(免费)

    化学专业数据库是中科院上海有机化学研究所承担建设的综合科技信息数据库的重要组成部分，是中科院知识创新工程信息化建设的重大专项。
    上海有机化学研究所的数据库群是服务于化学化工研究和开发的综合性信息系统，可以提供化合物有关的命名、结构、基本性质、毒性、谱学、鉴定方法、化学反应、医药农药应用、天然产物、相关文献和市场供应等信息。

SDBS: NIMC有机物谱图库，日本(免费)

SDBS is an integrated spectral database system for organic compounds,which includes 6 different types of spectra under a directory of the compounds.

ChemExper Chemical Directory
The goal of this project is to create a common and freely accessible database of chemicals over the internet. This database contains chemicals with their physical characteristics. Everybody can submit chemical information and retrieve information with a Web browser.

BioMagResBank (BMRB): 多肽、蛋白质、核酸等的核磁共振数据存储库(免费)

BMRBs mission is to collect, archive, and disseminate (worldwide in the public domain) the important quantitative data derived from NMR spectroscopic investigations of biological macromolecules.

SyntheticPages (合成化学数据库)(免费)
【数据内容】
SyntheticPages is a free database of practical procedures for research workers in synthetic chemistry.