39896-06-5

奎宁环盐酸盐(39896-06-5)质谱(MS)

产品名称:奎宁环盐酸盐

CAS:39896-06-5

分子式:C7H14ClN

分子量: 147.65

InChI:InChI=1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H

InChIKey: BZLBBZLOMXKMTA-UHFFFAOYSA-N

Smiles:C12CCN(CC1)CC2.Cl

Mass

MS-NW-3182          
quinuclidine hydrochloride
C7H13N HCl          (Mass of molecular ion:    111)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       3.0
      18.0       1.2
      26.0       1.0
      27.0       8.3
      28.0       5.8
      29.0       4.8
      30.0       2.0
      35.0       3.1
      36.0      27.3
      37.0       1.0
      38.0       9.0
      39.0       6.3
      40.0       1.1
      41.0      10.8
      42.0     100.0
      43.0       5.2
      44.0       1.1
      51.0       1.1
      53.0       3.7
      54.0       5.6
      55.0      20.0
      56.0       6.2
      57.0       9.6
      67.0       1.9
      68.0       5.7
      69.0      14.3
      70.0       2.9
      81.0       2.5
      82.0      37.5
      83.0      16.2
      84.0       1.6
      96.0      23.3
      97.0       1.7
     110.0      20.9
     111.0      44.7
     112.0       3.6

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₁₃ N	0.043 g : 0.5 ml D₂O
quinuclidine hydrochloride

    Assign.     Shift(ppm)

      B             3.320
      C             2.156
      D             1.940
     
     The solvent signal removed.

     Hz     ppm     Int.

   1335.33   3.342    956
   1329.35   3.327    690
   1327.15   3.321    936
   1324.71   3.315    615
   1318.97   3.301   1000
    868.53   2.174    137
    865.23   2.165    342
    861.94   2.157    474
    858.64   2.149    386
    855.35   2.141    176
    784.91   1.964    569
    781.49   1.956    610
    779.66   1.951    469
    776.49   1.943    764
    773.93   1.937    716
    770.39   1.928    458
    768.55   1.924    596
    765.26   1.915    486

D2O