Arecoline hydrobromide (300-08-3) 13C NMR
Product NameArecoline hydrobromide
CAS300-08-3
Molecular FormulaC8H14BrNO2
Molecular Weight236.11
InChIInChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
InChIKey AXOJRQLKMVSHHZ-UHFFFAOYSA-N
SmilesC1(C(=O)OC)=CCCN(C)C1.Br
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MassMS-NW-2274 methyl 1-methyl-1,2,5,6-tetrahydronicotinate hydrobromide C8H13NO2 HBr (Mass of molecular ion: 155)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 19.3 18.0 5.0 26.0 2.0 27.0 15.5 28.0 6.2 29.0 1.9 30.0 2.4 31.0 1.3 38.0 2.2 39.0 11.2 39.5 1.1 40.0 3.1 41.0 12.4 42.0 77.9 43.0 68.6 44.0 16.9 45.0 5.3 50.0 3.0 51.0 6.3 52.0 5.9 53.0 44.9 54.0 8.1 55.0 5.9 56.0 2.2 57.0 2.2 58.0 1.0 59.0 7.4 61.5 1.8 62.0 1.5 65.0 2.8 66.0 4.9 67.0 6.4 68.0 5.4 69.0 3.1 70.0 1.4 71.0 1.6 78.0 1.7 79.0 14.5 80.0 44.6 81.0 41.3 82.0 43.6 83.0 5.1 84.0 1.2 92.0 2.1 93.0 2.4 94.0 42.2 95.0 14.3 96.0 94.9 97.0 9.8 98.0 1.0 108.0 1.8 111.0 1.2 112.0 10.8 113.0 4.2 122.0 8.5 123.0 1.5 124.0 27.3 125.0 2.5 138.0 2.6 140.0 100.0 141.0 8.1 152.0 5.8 154.0 24.4 155.0 82.2 156.0 7.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H13 N O2 0.041 g : 0.5 ml DMSO-d6 methyl 1-methyl-1,2,5,6-tetrahydronicotinate hydrobromide 
Assign. Shift(ppm)
A 10.1 B 7.080 C 3.94 D 3.737 E 3.36 F 2.904 G 2.63
Hz ppm Int.4050.29 10.135 23 2834.47 7.093 42 2832.18 7.087 58 2830.51 7.083 87 2828.67 7.078 58 2826.39 7.073 43 1574.10 3.939 28 1493.68 3.738 1000 1161.04 2.906 744 1049.65 2.627 67
in DMSO-d6
in D2O
KBr disc
nujol mull
