硫酸阿托品(55-48-1)红外图谱(IR1)
分子式:2C17H23NO3.H2O4S
分子量: 676.82
InChI:InChI=1/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15+,16?;
InChIKey: HOBWAPHTEJGALG-AADVZIIPNA-N
Smiles:[C@@H]1(OC(=O)C(CO)C2=CC=CC=C2)C[C@@]2([H])N(C)[C@]([H])(CC2)C1.[C@@H]1(OC(=O)C(CO)C2=CC=CC=C2)C[C@@]2([H])N(C)[C@]([H])(CC2)C1.S(=O)(=O)(O)O |&1:0,14,18,23,37,41,r|