1,2-二氯丙烷 (78-87-5)核磁圖(1HNMR)
InChI:InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
InChIKey: KNKRKFALVUDBJE-UHFFFAOYSA-N
Smiles:C(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
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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