硫酸奎尼丁二水合物(6591-63-5)核磁图(1HNMR)
分子式:C20H26N2O6S
分子量: 422.5
InChI:InChI=1/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/s3
InChIKey: ZHNFLHYOFXQIOW-QBXUVBLONA-N
Smiles:C12C=C(C=CC=1N=CC=C2[C@H](O)[C@@]1([H])C[C@@]2(CCN1C[C@@H]2C=C)[H])OC.C12C=C(C=CC=1N=CC=C2[C@H](O)[C@@]1([H])C[C@]2([H])CCN1C[C@@H]2C=C)OC.S(=O)(=O)(O)O.O.O |&1:10,12,15,20,36,38,41,47,r|