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67-92-5

盐酸双环维林(67-92-5)质谱(MS)

产品名称:盐酸双环维林

CAS:67-92-5

分子式:C19H36ClNO2

分子量: 345.95

InChI:InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H

InChIKey: GUBNMFJOJGDCEL-UHFFFAOYSA-N

Smiles:C1(CCCCC1)(C(=O)OCCN(CC)CC)C1CCCCC1.Cl

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    Mass

    MS-IW-3279          
    2-(diethylamino)ethyl bicyclohexyl-1-carboxylate hydrochloride
    C19H35NO2 HCl       (Mass of molecular ion:    309)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          28.0       1.0
          29.0       1.5
          30.0       1.8
          36.0       3.0
          38.0       1.0
          41.0       2.8
          42.0       1.3
          44.0       3.3
          55.0       4.6
          56.0       1.8
          58.0       3.4
          67.0       1.3
          70.0       1.0
          71.0       4.1
          72.0       2.2
          81.0       1.6
          83.0       3.0
          84.0       1.6
          86.0     100.0
          87.0       6.3
          99.0      26.3
         100.0       7.0
         165.0       1.1
         237.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C19 H35 N O2 0.038 g : 0.5 ml CDCl3
    2-(diethylamino)ethyl bicyclohexyl-1-carboxylate hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.6 B 4.615 C 3.348 D 3.216 E 2.01 F 1.77 G 1.68 to 1.59 J 1.470 K 1.33 L 1.27 N 1.17 P 1.08 R 0.945 ASSIGNED BY H-H AND C-H COSY.

         Hz     ppm     Int.
    

       1850.53   4.631    136
       1844.85   4.617    199
       1839.36   4.603    150
       1343.89   3.363    101
       1338.21   3.349    161
       1332.72   3.335    104
       1295.35   3.242     58
       1294.99   3.241     58
       1288.76   3.225    144
       1281.98   3.208    152
       1275.57   3.192     69
        809.23   2.025     67
        807.21   2.020     65
        806.67   2.019     65
        796.41   1.993    103
        713.80   1.787     68
        711.24   1.780     60
        700.98   1.754     83
        665.26   1.665    134
        662.15   1.657    118
        652.99   1.634    184
        651.52   1.631    176
        639.07   1.600     46
        594.74   1.489    478
        587.60   1.471   1000
        580.27   1.452    469
        535.58   1.341     36
        532.83   1.334     61
        529.90   1.326     38
        520.74   1.303     67
        518.18   1.297     50
        507.00   1.269     79
        497.48   1.245    109
        486.86   1.219     81
        474.22   1.187    122
        463.96   1.161    102
        461.03   1.154    119
        448.21   1.122     87
        438.68   1.098     30
        435.57   1.090     45
        393.08   0.984     34
        383.18   0.959     68
        380.62   0.953     78
        370.91   0.929     59
        368.35   0.922     63
    

in CDCl3

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KBr disc

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nujol mull

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