94-20-2

CHLORPROPAMIDE(94-20-2) ¹³C NMR

Product NameCHLORPROPAMIDE

CAS 94-20-2

Molecular FormulaC10H13ClN2O3S

Molecular Weight276.74

InChIInChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)

InChIKey RKWGIWYCVPQPMF-UHFFFAOYSA-N

SmilesC1(S(NC(NCCC)=O)(=O)=O)=CC=C(Cl)C=C1

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CHLORPROPAMIDE(94-20-2) <sup>13</sup>C NMR
Mass

MS-IW-2146          
1-(p-chlorophenylsulfonyl)-3-propylurea
C10H13ClN2O3S       (Mass of molecular ion:    276)

   Source Temperature: 130 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      26.0       1.0
      27.0       5.1
      28.0       7.9
      29.0       5.0
      30.0      75.8
      31.0       1.6
      37.0       1.0
      38.0       1.9
      39.0       3.2
      41.0       6.6
      42.0       3.9
      43.0       9.2
      44.0       2.4
      50.0      13.3
      51.0       5.9
      56.0       7.6
      57.0       2.0
      58.0       8.3
      59.0       7.7
      61.0       1.7
      62.0       1.1
      63.0       2.7
      64.0       1.6
      73.0       3.7
      74.0       8.6
      75.0      36.9
      76.0       7.9
      77.0       1.4
      84.0       2.5
      85.0      29.3
      86.0       2.0
      87.0       1.6
      90.0       1.6
      99.0       3.6
     101.0       3.9
     110.0       1.1
     111.0     100.0
     112.0       8.2
     113.0      32.7
     114.0       2.6
     126.0       2.1
     127.0      16.6
     128.0      19.2
     129.0       6.4
     130.0       5.8
     131.0       1.2
     159.0       1.6
     175.0      83.3
     176.0       6.3
     177.0      30.7
     178.0       2.2
     179.0       1.4
     191.0       5.0
     193.0       2.0
     212.0       3.0
     214.0       1.0
     217.0      29.0
     218.0       2.8
     219.0      11.4
     220.0       1.0
     247.0       1.9

400 MHz in CDCl3

CHLORPROPAMIDE(94-20-2) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₀ H₁₃ Cl N₂ O₃ S	0.044 g : 0.5 ml CDCl₃
1-(p-chlorophenylsulfonyl)-3-propylurea

    Assign.     Shift(ppm)

      A             7.863
      B             7.486
      C             6.54
      D             3.171
      E             1.499
      F             0.872
     
     J(C,D)=5.6HZ

     Hz     ppm     Int.

   3149.78   7.882     58
   3147.34   7.876    470
   3145.26   7.871    156
   3140.50   7.859    159
   3138.55   7.854    524
   3135.99   7.847     78
   2998.41   7.503     75
   2995.97   7.497    599
   2993.90   7.492    179
   2989.14   7.480    165
   2987.06   7.475    542
   2984.62   7.469     72
   2619.51   6.555     47
   2614.01   6.541     86
   2608.40   6.527     49
   1277.59   3.197     96
   1270.75   3.180    183
   1264.28   3.164    181
   1257.57   3.147    102
    610.23   1.527    133
    602.91   1.509    237
    595.83   1.491    239
    588.50   1.473    143
    581.18   1.455     35
    355.59   0.890    487
    348.27   0.872   1000
    343.63   0.860     33
    340.82   0.853    438

in CDCl3