BENZOYLCHOLINE BROMIDE(24943-60-0) 1H NMR
Product NameBENZOYLCHOLINE BROMIDE
CAS24943-60-0
Molecular FormulaC12H18BrNO2
Molecular Weight288.18
InChIInChI=1S/C12H18NO2.BrH/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
InChIKey UOWKZCQHFFILJX-UHFFFAOYSA-M
SmilesC1(C=CC=CC=1)C(=O)OCC[N+](C)(C)C.[Br-]
90 MHz in DMSO-d6
-
1H NMR 89.56 MHz C12 H18 Br N O2 0.042 g : 0.5 ml DMSO-d6 benzoylcholine bromide 
Assign. Shift(ppm)
A 8.03 B 7.68 C 7.59 D 4.76 E 3.93 F 3.284
Hz ppm Int.724.44 8.089 66 722.88 8.072 85 721.25 8.054 32 716.75 8.004 92 714.75 7.981 115 692.31 7.731 36 691.50 7.722 40 687.31 7.675 53 685.44 7.654 93 684.44 7.643 109 683.88 7.637 121 682.31 7.619 49 679.56 7.588 36 678.06 7.572 40 676.56 7.555 84 423.25 4.726 45 356.13 3.977 61 354.25 3.956 50 351.44 3.925 54 349.19 3.899 45 347.06 3.876 49 294.13 3.285 1000
in DMSO-d6
KBr disc
4880 A,200 M,powder
