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Back ChemicalBook Home>CAS DataBase List>3952-98-5More Spectrum> SINIGRIN(3952-98-5) IR1

SINIGRIN(3952-98-5) IR1

Product NameSINIGRIN

CAS3952-98-5

Molecular FormulaC10H17NO9S2.K

Molecular Weight397.46

InChIInChI=1/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/s3

InChIKey QKFAFSGJTMHRRY-MSSAZMNQNA-M

Smiles[C@H]1(S/C(/CC=C)=N/OS([O-])(=O)=O)[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O.[K+] |&1:0,12,14,15,17,r|



KBr disc





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