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主题:【转帖】免费的标准谱图资料

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免费的标准谱图资料

1. 在线查找化学结构式!
http://www.sigmaaldrich.com/cgi-bin/hsrun/Distributed/HahtShop/HAHTShop.htx;start=HS_SearchCenter中,选择Search Structures,然后,就可以分别根据:Product Name 和CAS登录号,还有Molecular Formula进行查找 。在这里查到的化合物基本都有一些参数和它的结构式(Structure Image),然后将图片保存成Gif即可! 当然,如果你只知道化合物的结构式,不知道叫什么,可以选择下面的Sub Structure Search ,然后 Step 1 Choose a Drawing tool. I want to Download Kekule (requires download of Kekv214.exe) Step 2 Install the plug-in you downloaded in step 1 .Close this browser. Return to the directory where you saved the plug-in and double click on the file name given in step 1. Step 3 Return to this page and click the "Structure Search" button.安装好软件即可将画好的图片粘贴上即可查找,非常方便,http://chemfinder.cambridgesoft.com/

2. 能查几万个化合物的NMR IR谱图的网址 
SDBS Integrated Spectral Data Base System for Organic Compounds
http://www.aist.go.jp/RIODB/SDBS/sdbs/owa/sdbs_sea.cre_frame_sea
NIST WebBook
http://webbook.nist.gov/

3. 美国专利pdf全文下载  http://www.pat2pdf.org

4. 免费在线查合成路线http://www.stolaf.edu/depts/chemistry/courses/toolkits/247/practice/medialib/data/

5. 中科院上海有机化学研究所化学专业数据库 http://202.127.145.134/tf123456/654321 中科院上海有机化学研究所数据库(http://www.sioc.ac.cn/lccdb/sjk.htm),免费注册使用,现在已经改版,性能提高许多。主要包括: 化学核心期刊论文数据库 中药与有效成分数据库 药物与天然产物数据库 ;红外数据库(WinNT/Win9x) 化工产品数据库(中国) 化工产品性质价格和厂商数据库 化学配方数据库 ;化学综合数据库系统;

6. 请问网上那儿能查到有机药物的PKa或PKb值 
Daylight Chemical Information Systems,Inc.
药物学数据库:目前有化合物26000个,数据项有LOGP、PKA、CAS号、WLN、英文名、活性等。世界药物索引:可对40000个药物的数据进行检索。spresipretps: 这是数据库的子库,由前苏联的收集,目前有约好400000个化合物,每个化合物至少有一篇与制备有关的杂志文章或专利文献。
http://www.daylight.com/
但好像需要下载软件来进行查找 下面是一些具体的例子,好像Chemweb可以查找
Bordwell pKa Table
http://www.chem.wisc.edu/areas/reich/pkatable/
ChemWeb pKa Search. One must register before using ChemWeb.
http://cwgen.chemweb.com/pka/pkasearch.html
Harvard University tables compiled and maintained by David Ripin and David Evans.
http://daecr1.harvard.edu/pKa/pka.html
about天然药物化学一些 HERBAL方面的LINKS
一些 HERBAL方面的LINKS
http://www.geocities.com/chadrx/
http://medherb.com/
http://tnp.com/substanceshome.asp
http://www.mothernature.com/ency/Index/Herb_Index.asp
http://onhealth.webmd.com/alternative/resource/herbs/alpha/index,K.asp
http://www.dmoz.org/Health/Alternative/Herbs/Constituents/
http://www.zianet.com/desertbloom/herbalinfo.html
http://www.herbs.org/index.html
http://wwv.herbalvillage.com/nh/index.html
http://www.botanical.com/index.html
http://www.algy.com/herb/medcat.html
http://chili.rt66.com/hrbmoore/HOMEPAGE/HomePage.html
Links to Synthetic Organic and Related Groups  [精华]
http://www.uark.edu/campus-resources/mcintosh/organiclinks.html
The usage of the above links.

1. Find what these big guys are doing, what are their interesting areas.

2. Download their publication directly.
For example, Dr.K. C. Nicolaou , Scripps in California
you can donload a n excelent natural product total synthesis review paper directly.
  456. Art and Science of Total Synthesis at the Dawn of the Twenty-first Century, K.C. Nicolaou, D. Vourloumis, N. Winssinger, P.S. Baran, Angew. Chem. Int. Ed. 39, 44-122 (2000). PDF file
Another example is that once Dr.Clayton Heathcock in Berkley will give us a lecture on "grams total synthesis of Spongistatin 1 (Altohyrtin A). I printed out all his published paper about Spongistatin synthesis from his website.

3. Find if there are posdoc positions opening.
Organic name reaction online  [精华]
http://fachschaft.cup.uni-muenchen.de/~schleifi/reaktion/reaction/
http://www.chempensoftware.com/organicreactions.htm
http://themerckindex.cambridgesoft.com/TheMerckIndex/NameReactions/TOC.asp
Another website for organic compound properties  [精华]
http://www.chemexper.com/ccd/power/search_5.shtml
The website is very similar with http://chemfinder.cambridgesoft.com/ , a wellknown website.
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