1,2,3-三溴丙烷(96-11-7)核磁圖(1HNMR)
InChI:InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2
InChIKey: FHCLGDLYRUPKAM-UHFFFAOYSA-N
Smiles:C(Br)C(Br)CBr
-
Mass
MS2016-05354CW
1,2,3-tribromopropane
C3H5Br3 (Mass of molecular ion: 278)
Source Temperature: 250 °C
Sample Temperature: 250 °C
Reservoir, 70 eV
27.0 1.7
28.0 3.1
37.0 1.6
38.0 3.2
39.0 21.4
40.0 1.6
41.0 10.4
79.0 1.3
81.0 1.3
93.0 7.0
95.0 6.6
105.0 2.3
107.0 2.2
119.0 21.4
120.0 1.8
121.0 21.0
122.0 1.7
173.0 1.0
187.0 1.4
199.0 50.6
200.0 2.0
201.0 100.0
202.0 3.5
203.0 47.9
204.0 1.6
90 MHz in CDCl3
parameter in acetonitrile
parameter in CCl4
-
1H NMR |
89.56 MHz |
C3 H5 Br3
|
0.04 ml : 0.5 ml CDCl3
|
1,2,3-tribromopropane
|
|
Assign. Shift(ppm)
A 4.363
B *1 3.92
C *1 3.87
|
Hz ppm Int.
403.50 4.506 47
399.50 4.461 58
398.44 4.449 64
396.94 4.433 111
394.44 4.405 64
392.31 4.381 272
390.19 4.357 118
388.69 4.340 87
387.00 4.322 110
385.63 4.306 222
381.13 4.256 126
363.38 4.058 68
362.75 4.051 70
358.81 4.007 91
358.31 4.001 76
352.06 3.931 940
350.50 3.914 1000
347.69 3.883 662
343.94 3.841 647
339.63 3.793 109
339.13 3.787 79
333.00 3.719 79
332.38 3.712 81
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1H NMR |
300 MHz |
C3 H5 Br3
|
8 mol% in acetonitrile
|
1,2,3-tribromopropane
|
|
Parameter ppm Hz
D(A) 4.519
D(B) *1 3.979
D(C) *1 3.868
J(A,B) 4.60
J(A,B') 4.60
J(A,C) 6.64
J(A,C') 6.64
J(B,B') -0.40
J(B,C) -11.21
J(B,C') 0.32
J(B',C) 0.32
J(B',C') -11.21
J(C,C') -0.34
ERNST,L. & SCHAEFER,T. CAN.J.CHEM. 51, 565 (1973)
|
Hz ppm Int.
1367.11 4.557 99
1362.48 4.542 200
1360.51 4.535 209
1357.86 4.526 129
1355.88 4.520 443
1353.91 4.513 132
1351.25 4.504 213
1349.27 4.498 240
1344.66 4.482 126
1202.41 4.008 486
1197.79 3.993 451
1191.36 3.971 1000
1186.78 3.956 918
1168.28 3.894 986
1161.64 3.872 914
1157.23 3.857 492
1150.60 3.835 441
-
1H NMR |
300 MHz |
C3 H5 Br3
|
8 mol% in CCl4
|
1,2,3-tribromopropane
|
|
Parameter ppm Hz
D(A) 4.322
D(B) *1 3.909
D(C) *1 3.815
J(A,B) 4.25
J(A,B') 4.25
J(A,C) 7.04
J(A,C') 7.04
J(B,B') -0.40
J(B,C) -10.96
J(B,C') 0.37
J(B',C) 0.37
J(B',C') -10.96
J(C,C') -0.38
ERNST,L. & SCHAEFER,T. CAN.J.CHEM. 51, 565 (1973)
|
Hz ppm Int.
1308.11 4.360 93
1303.81 4.346 182
1301.14 4.337 194
1299.52 4.332 124
1296.84 4.323 429
1294.16 4.314 131
1292.58 4.309 186
1289.86 4.300 238
1285.56 4.285 128
1181.21 3.937 430
1176.90 3.923 400
1170.42 3.901 1000
1166.19 3.887 900
1152.33 3.841 982
1145.29 3.818 884
1141.53 3.805 443
1134.50 3.782 379