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MassMS-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
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1H NMR 300 MHz C3 H6 Cl2 10.1 mol% in benzene 1,2-dichloropropane 
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
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1H NMR 300 MHz C3 H6 Cl2 14 mol% in CCl4 1,2-dichloropropane 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
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1H NMR 89.56 MHz C3 H6 Cl2 0.04 ml : 0.5 ml CDCl3 1,2-dichloropropane 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
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1H NMR 300 MHz C3 H6 Cl2 7.66 mol% in acetonitrile 1,2-dichloropropane 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
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1H NMR 300 MHz C3 H6 Cl2 10.4 mol% in DMSO 1,2-dichloropropane 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
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