DICYCLOMINE HYDROCHLORIDE(67-92-5) ¹³C NMR

Product NameDICYCLOMINE HYDROCHLORIDE

CAS 67-92-5

Molecular FormulaC19H36ClNO2

Molecular Weight345.95

InChIInChI=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

SmilesC1(CCCCC1)(C(=O)OCCN(CC)CC)C1CCCCC1.Cl

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DICYCLOMINE HYDROCHLORIDE(67-92-5) <sup>13</sup>C NMR
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

DICYCLOMINE HYDROCHLORIDE(67-92-5) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₉ H₃₅ N O₂	0.038 g : 0.5 ml CDCl₃
2-(diethylamino)ethyl bicyclohexyl-1-carboxylate hydrochloride

    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