半胆碱基-3(312-45-8)红外图谱(IR1)
分子式:C24H34N2O4.2Br
分子量: 574.351
InChI:InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2
InChIKey: OPYKHUMNFAMIBL-UHFFFAOYSA-L
Smiles:C1(=CC=C(C2C=CC(C3(O)OCC[N+](C)(C)C3)=CC=2)C=C1)C1(O)OCC[N+](C)(C)C1.[Br-].[Br-]
400 MHz in DMSO-d6(at 60C)