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Back ChemicalBook Home>CAS DataBase List>78-87-5More Spectrum> 1,2-Dichloropropane(78-87-5) 13C NMR

1,2-Dichloropropane(78-87-5) 13C NMR

Product Name1,2-Dichloropropane

CAS78-87-5

Molecular FormulaC3H6Cl2

Molecular Weight112.99

InChIInChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3

InChIKey KNKRKFALVUDBJE-UHFFFAOYSA-N

SmilesC(Cl)C(Cl)C


  • Mass

    MS-NW-5504          
    1,2-dichloropropane
    C3H6Cl2             (Mass of molecular ion:    112)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.7
          26.0       3.8
          27.0      46.5
          28.0       1.1
          35.0       1.0
          36.0       2.0
          37.0       3.4
          38.0       5.4
          39.0      21.5
          40.0       3.9
          41.0      39.9
          42.0       3.4
          49.0       8.8
          51.0       2.9
          61.0       9.4
          62.0      64.0
          63.0     100.0
          64.0      22.0
          65.0      31.3
          75.0       2.4
          76.0      20.9
          77.0      11.8
          78.0       7.3
          79.0       3.6
          97.0       3.6
          99.0       2.3
         112.0       3.5
         114.0       2.1
    

parameter in benzene

parameter in CCl4

90 MHz in CDCl3

parameter in acetonitrile

parameter in DMSO-d6


  • 1H NMR 300 MHz
    C3 H6 Cl2 10.1 mol% in benzene
    1,2-dichloropropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.12 D(B) 3.54 D(C) 3.15 D(D) 2.99 J(A,B) 6.37 J(A,C) 0.24 J(A,D) -0.10 J(B,C) 4.96 J(B,D) 7.69 J(C,D) -11.12 FINEGOLD,H. J.CHEM.PHYS. 41, 1808 (1964)

         Hz     ppm     Int.
    

       1078.05   3.593     21
       1073.09   3.577     28
       1071.70   3.572     66
       1070.40   3.568     29
       1066.72   3.556     75
       1065.35   3.551     97
       1064.02   3.547     77
       1060.35   3.534     78
       1059.05   3.530    105
       1057.65   3.525     78
       1053.98   3.513     31
       1052.70   3.509     79
       1051.30   3.504     30
       1046.35   3.488     27
        953.61   3.179    121
        948.68   3.162    113
        942.52   3.142    190
        937.57   3.125    177
        905.69   3.019    228
        897.99   2.993    207
        894.59   2.982    145
        886.87   2.956    131
        339.18   1.131   1000
        332.81   1.109    982
    


  • 1H NMR 300 MHz
    C3 H6 Cl2 14 mol% in CCl4
    1,2-dichloropropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.60 D(B) 4.03 D(C) 3.68 D(D) 3.45 J(A,B) 6.44 J(A,C) 0.34 J(A,D) -0.15 J(B,C) 4.71 J(B,D) 9.08 J(C,D) -10.82 FINEGOLD,H. J.CHEM.PHYS. 41, 1808 (1964)

         Hz     ppm     Int.
    

       1225.75   4.086     23
       1221.03   4.070     28
       1219.34   4.064     70
       1216.68   4.056     30
       1214.63   4.049     79
       1212.91   4.043     78
       1212.03   4.040     44
       1210.27   4.034     81
       1208.19   4.027     81
       1205.56   4.019     91
       1203.84   4.013     82
       1201.79   4.006     31
       1199.12   3.997     86
       1197.40   3.991     31
       1192.69   3.976     29
       1112.14   3.707    126
       1107.43   3.691    116
       1101.33   3.671    173
       1096.62   3.655    159
       1044.43   3.481    224
       1035.34   3.451    209
       1033.62   3.445    173
       1024.52   3.415    148
        483.22   1.611   1000
        476.79   1.589    989
    


  • 1H NMR 89.56 MHz
    C3 H6 Cl2 0.04 ml : 0.5 ml CDCl3
    1,2-dichloropropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.139 B *1 3.743 C *1 3.592 D 1.611 J(A,D)=6.4HZ. J(B,C)=-11.0HZ. J(A,B)=4.9HZ. J(A,C)=7.9HZ.

         Hz     ppm     Int.
    

        381.63   4.262     51
        376.63   4.206     60
        375.19   4.190     78
        373.75   4.174     71
        370.19   4.134     63
        368.75   4.118    104
        367.25   4.101     76
        362.25   4.045     90
        360.81   4.029     34
        355.94   3.975     38
        346.13   3.865     66
        341.25   3.811     59
        335.13   3.742    239
        330.19   3.687    205
        327.75   3.660    419
        319.81   3.571    296
        316.75   3.537    124
        308.81   3.449    102
        147.50   1.647    985
        141.06   1.576   1000
    


  • 1H NMR 300 MHz
    C3 H6 Cl2 7.66 mol% in acetonitrile
    1,2-dichloropropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.57 D(B) 4.23 D(C) 4.44 D(D) 3.72 J(A,B) 6.40 J(A,C) 0.0 J(A,D) 0.0 J(B,C) 5.28 J(B,D) 6.60 J(C,D) -11.27 FINEGOLD,H. J.CHEM.PHYS. 41, 1808 (1964)

         Hz     ppm     Int.
    

       1340.51   4.468    146
       1335.25   4.451    170
       1329.31   4.431    159
       1324.05   4.413    191
       1284.47   4.282     23
       1279.15   4.264     27
       1278.08   4.260     88
       1272.77   4.243     83
       1271.67   4.239    136
       1266.35   4.221    118
       1265.23   4.217    100
       1259.94   4.200     80
       1258.81   4.196     32
       1253.53   4.178     22
       1124.67   3.749    182
       1118.12   3.727    168
       1113.47   3.712    165
       1106.92   3.690    151
        474.19   1.581   1000
        467.80   1.559    985
    


  • 1H NMR 300 MHz
    C3 H6 Cl2 10.4 mol% in DMSO
    1,2-dichloropropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.48 D(B) 4.31 D(C) 3.80 D(D) 3.76 J(A,B) 6.47 J(A,C) 0.0 J(A,D) 0.0 J(B,C) 5.15 J(B,D) 5.90 J(C,D) -11.07 FINEGOLD,H. J.CHEM.PHYS. 41, 1808 (1964)

         Hz     ppm     Int.
    

       1308.36   4.361     20
       1301.96   4.340     71
       1296.06   4.320    111
       1290.30   4.301    115
       1284.35   4.281     81
       1277.95   4.260     24
       1150.25   3.834     55
       1145.06   3.817     57
       1139.19   3.797    293
       1134.13   3.780    528
       1128.40   3.761    270
       1123.20   3.744     58
       1117.34   3.724     54
        447.22   1.491   1000
        440.79   1.469    985
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



1,2-Dichloropropane(78-87-5) 13C NMR Atlas of Related Products

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