Homatropine Hydrobromide(51-56-9) 1H NMR
Product NameHomatropine Hydrobromide
CAS51-56-9
Molecular FormulaC16H22BrNO3
Molecular Weight356.25
InChIInChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14+,15?;
InChIKey DWSGTFTVBLXELC-RDYJJYPNNA-N
Smiles[C@@H]1(OC(=O)C(O)C2=CC=CC=C2)C[C@@]2([H])N(C)[C@]([H])(CC2)C1.Br |&1:0,13,17,r|
400 MHz in D2O
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1H NMR 399.65 MHz C16 H21 N O3 0.039 g : 0.5 ml D2O homatropine hydrobromide 
Assign. Shift(ppm)
A 7.49 B 5.383 C 5.079 D *1 3.83 E *1 3.652 F 2.680 G *2 2.363 J *2 2.271 K *3 2.15 to 2.08 L 1.86 M *3 1.111 SOLVENT PEAK REMOVED
Hz ppm Int.2998.29 7.503 163 2997.56 7.501 186 2996.46 7.498 166 2995.61 7.496 234 2992.92 7.489 618 2988.16 7.477 145 2986.82 7.474 76 2986.08 7.472 70 2984.86 7.469 138 2983.64 7.466 76 2981.93 7.462 58 2979.74 7.456 57 2151.61 5.384 403 2030.03 5.080 84 1531.01 3.831 48 1071.04 2.680 1000 953.98 2.388 33 937.38 2.346 45 933.59 2.337 31 916.38 2.293 34 899.78 2.252 41 866.82 2.169 54 850.10 2.128 52 843.38 2.111 40 841.80 2.107 45 837.52 2.096 52 836.18 2.093 53 832.28 2.083 88 826.66 2.069 55 825.44 2.066 51 751.83 1.882 43 749.51 1.876 58 748.41 1.873 62 747.19 1.870 53 737.92 1.847 30 737.55 1.846 30 733.03 1.835 56 732.54 1.833 56 732.18 1.833 56 729.13 1.825 37 449.58 1.125 30 449.22 1.125 30 442.75 1.108 45
in D2O
KBr disc
nujol mull
