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300-08-3

氫溴酸檳榔堿(300-08-3)紅外圖譜(IR1)

產(chǎn)品名稱:氫溴酸檳榔堿

CAS:300-08-3

分子式:C8H14BrNO2

分子量: 236.11

InChI:InChI=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

Smiles:C1(C(=O)OC)=CCCN(C)C1.Br

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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