小型光谱数据库下载Optical Databases Download Page(免费)

Here you will find collections of spectra, each contained in SpecManager databases for optical spectroscopy. In order to view the spectra or search by spectrum or subspectrum against your own data you will require any version of SpecManager or UV-IR Manager demo or commercial ware.

糖类(碳水化合物)拉曼谱图库SPECARB (Raman Spectra of Carbohydrates)(免费)
The SPECARB spectra will be available for download in GIF and Perkin Elmer ASCII formats, respectively.

有机化合物结构光谱解析(免费)
This online workbook has been developed for senior undergraduate and graduate students learning to solve the structures of organic compounds from spectroscopic data. Most problems contain an IR spectrum (film or KBr pellet), a 500 MHz 1H NMR spectrum, a 125 MHz 13C NMR spectrum, and a 70 eV electron ionization Mass Spectrum. In the 1H NMR spectra, the phrase "exchanges" means that shaking the NMR solution with D2O resulted in loss of the signal due to H/D exchange.

a distributed crystallography network for researchers, students and the general public

The Reciprocal Net project will construct and deploy a distributed, open, extensible digital collection of molecular structures. Associated with the collection will be software tools for visualizing, interacting with, and rendering printable images of the contents software for the automated conversion of local database representations into standard formats which can be globally shared tools and components for constructing educational modules based on the collection and examples of such modules as the beginning of a public repository for educational materials based on the collection.

美国标准与技术研究院NIST 双原子光谱数据库(免费)
Spectral data is available for the 121 diatomic molecules