Thiamine nitrate (532-43-4) MS
Product NameThiamine nitrate
CAS532-43-4
Molecular FormulaC12H17N5O4S
Molecular Weight327.36
InChIInChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
InChIKey UIERGBJEBXXIGO-UHFFFAOYSA-N
Smiles[N+]1(CC2=CN=C(C)N=C2N)C(C)=C(SC=1)CCO.[N+]([O-])([O-])=O
