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Back ChemicalBook Home>CAS DataBase List>300-08-3More Spectrum> Arecoline hydrobromide (300-08-3) 1H NMR

300-08-3

Arecoline hydrobromide (300-08-3) 1H NMR

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

  • Arecoline hydrobromide (300-08-3) <sup>1</sup>H NMR
    Mass

    MS-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

  • Arecoline hydrobromide (300-08-3) <sup>1</sup>H NMR

    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
    ChemicalStructure
        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

  • Arecoline hydrobromide (300-08-3) <sup>1</sup>H NMR

  • Arecoline hydrobromide (300-08-3) <sup>1</sup>H NMR

KBr disc

  • Arecoline hydrobromide (300-08-3) <sup>1</sup>H NMR

nujol mull

  • Arecoline hydrobromide (300-08-3) <sup>1</sup>H NMR

Arecoline hydrobromide (300-08-3) 1H NMR Atlas of Related Products

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