1,3-二氯丙醇(96-23-1)紅外圖譜(IR1)
InChI:InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey: DEWLEGDTCGBNGU-UHFFFAOYSA-N
Smiles:C(Cl)C(O)CCl
-
Mass
MS-NW-4341
1,3-dichloro-2-propanol
C3H6Cl2O (Mass of molecular ion: 128)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 7.2
26.0 1.4
27.0 4.7
29.0 4.3
31.0 3.8
36.0 1.4
37.0 1.0
38.0 1.3
39.0 3.2
41.0 1.0
42.0 2.9
43.0 37.5
44.0 2.4
48.0 1.1
49.0 8.3
50.0 1.2
51.0 2.9
57.0 1.2
61.0 1.2
62.0 2.8
64.0 1.2
75.0 1.7
78.0 2.0
79.0 100.0
80.0 2.9
81.0 33.9
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C3 H6 Cl2 O
|
0.04 ml : 0.5 ml CDCl3
|
| 1,3-dichloro-2-propanol
|
 |
Assign. Shift(ppm)
A 4.072
B 3.697
C 2.6
J(A,B)=5.2HZ.
CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
371.63 4.150 23
370.38 4.136 70
367.19 4.100 28
365.50 4.082 99
364.75 4.073 78
361.75 4.040 34
359.88 4.019 120
355.13 3.966 70
333.44 3.724 1000
328.50 3.668 638
233.38 2.606 47
-
| 1H NMR |
300 MHz |
| C3 H6 Cl2 O
|
0.04 ml : 0.5 ml CDCl3
|
| 1,3-dichloro-2-propanol
|
|
Parameter ppm Hz
D(A) 4.072
D(B) 3.697
J(A,B) 5.24
D(C) 2.61
|
Hz ppm Int.
1232.31 4.108 27
1226.98 4.090 99
1221.78 4.073 154
1216.51 4.055 118
1211.40 4.038 39
1111.66 3.706 1000
1106.44 3.688 897
783.00 2.610 29