1,1,2-三氯丙烷(598-77-6)Raman光譜
InChI:InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
InChIKey: GRSQYISVQKPZCW-UHFFFAOYSA-N
Smiles:C(Cl)(Cl)C(Cl)C
-
Mass
MS-NW-0959
1,1,2-trichloropropane
C3H5Cl3 (Mass of molecular ion: 146)
Source Temperature: 270 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
26.0 2.2
27.0 27.3
35.0 1.4
36.0 1.7
37.0 3.0
38.0 4.2
39.0 17.3
40.0 1.5
41.0 5.0
47.0 1.5
48.0 1.5
49.0 7.4
51.0 2.2
61.0 3.0
62.0 32.6
63.0 100.0
64.0 12.0
65.0 31.1
73.0 1.6
75.0 14.5
76.0 1.7
77.0 4.6
83.0 6.6
85.0 4.2
95.0 1.9
97.0 3.1
99.0 1.3
110.0 1.1
111.0 3.1
113.0 1.7
90 MHz in CDCl3
parameter in CCl4
-
| 1H NMR |
89.56 MHz |
| C3 H5 Cl3
|
0.04 ml : 0.5 ml CDCl3
|
| 1,1,2-trichloropropane
|
 |
Assign. Shift(ppm)
A 5.854
B 4.344
C 1.689
J(A,B)=3.6HZ
J(B,C)=6.5HZ
|
Hz ppm Int.
526.13 5.875 386
522.56 5.835 401
401.00 4.478 37
397.44 4.438 36
394.38 4.404 105
390.81 4.364 102
387.88 4.331 113
384.31 4.292 105
381.44 4.260 44
377.81 4.219 42
154.50 1.726 1000
152.19 1.700 24
147.94 1.652 945
145.69 1.627 24
-
| 1H NMR |
300 MHz |
| C3 H5 Cl3
|
10 vol% in CCl4
|
| 1,1,2-trichloropropane
|
|
Parameter ppm Hz
D(A) 5.83
D(B) 4.32
D(C) 1.69
J(A,B) 3.8
J(A,C) 0.0
J(B,C) 6.6
WHITE,H.F. ANAL.CHEM. 36, 1291 (1964)
|
Hz ppm Int.
1750.91 5.836 330
1747.14 5.824 335
1307.83 4.359 42
1304.03 4.347 43
1301.24 4.337 125
1297.43 4.325 125
1294.64 4.315 129
1290.83 4.303 125
1288.08 4.294 46
1284.27 4.281 43
510.31 1.701 1000
503.71 1.679 984