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化合物譜圖數(shù)據(jù)庫查詢系統(tǒng)
主要是化合物紅外譜圖的查詢

劍橋晶體結(jié)構(gòu)數(shù)據(jù)庫(CSD, 有機、金屬有機物)

The CCDC is dedicated to the advancement of chemistry and crystallography for the public benefit through providing high-quality information services and software.

spectroscopyNOW

The free online resource for the spectroscopy community

有機化合物數(shù)據(jù)庫Organic Compounds Database, Virginia Tech
This 2483 compound database has been compiled by Harold M. Bell at Virginia Tech. Fill in the form below with as much information as you can. Leave the information blank if you dont know or you dont care. Click on the submit button to execute your search. You will receive at most 20 hits.

碳-13核磁共振波譜數(shù)據(jù)庫(免費)
碳-13核磁共振波譜數(shù)據(jù)庫
　　碳－13核磁共振波譜數(shù)據(jù)庫系統(tǒng)始建于1982年,它是國內(nèi)第一個比較大型的碳-13 NMR譜圖數(shù)據(jù)庫系統(tǒng)，主要用于有機化合物結(jié)構(gòu)的自動解析。數(shù)據(jù)類型包括各類有機化合物的碳-13 NMR譜圖數(shù)據(jù),如天然產(chǎn)物,金屬有機化合物, 毒物等各類化合物。數(shù)據(jù)項包括化合物名稱、分子式、化合物重量、化學(xué)位移、多重性、實驗條件、相關(guān)的文獻(xiàn)等。