THIAMINE DISULFIDE NITRATE(109125-52-2) IR1
Product NameTHIAMINE DISULFIDE NITRATE
CAS109125-52-2
Molecular FormulaC24H35N9O7S2
Molecular Weight625.72
InChIInChI=1S/C24H34N8O4S2.2HNO3/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;2*2-1(3)4/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);2*(H,2,3,4)/b21-15-,22-16+;;
InChIKey MSVPLGIAUQGBIU-ZKWTVRRCSA-N
SmilesC1(=CN=C(C)N=C1N)CN(C=O)/C(/C)=C(/CCO)\SS/C(/CCO)=C(\C)/N(C=O)CC1=CN=C(C)N=C1N.[N+]([O-])(=O)O.[N+]([O-])(=O)O
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Spectral Code: IR : nujol mull
