五氯乙烷(76-01-7)質(zhì)譜(MS)
InChI:InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H
InChIKey: BNIXVQGCZULYKV-UHFFFAOYSA-N
Smiles:C(Cl)(Cl)(Cl)C(Cl)Cl
-
Mass
MS-NW-4428
pentachloroethane
C2HCl5 (Mass of molecular ion: 200)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 1.5
24.0 1.2
25.0 6.4
35.0 8.7
36.0 3.4
37.0 2.7
38.0 1.0
47.0 10.7
48.0 4.1
49.0 3.7
50.0 1.3
59.0 4.4
60.0 22.5
61.0 2.0
62.0 7.5
65.0 2.5
66.0 2.4
82.0 6.2
83.0 38.7
84.0 4.7
85.0 25.4
87.0 4.0
94.0 8.2
95.0 13.3
96.0 5.4
97.0 9.3
98.0 1.2
99.0 1.6
117.0 100.0
118.0 1.2
119.0 97.0
120.0 1.1
121.0 29.6
123.0 3.3
129.0 8.1
130.0 28.0
131.0 8.4
132.0 26.8
133.0 3.2
134.0 9.0
136.0 1.1
164.0 1.8
165.0 74.1
166.0 3.9
167.0 96.2
168.0 3.4
169.0 46.6
170.0 1.3
171.0 10.3
-
1H NMR |
300 MHz |
C2 H Cl5
|
10 % in CCl4
|
pentachloroethane
|
|
Parameter ppm Hz
D(A) 6.09
SHEPPARD,N. & TURNER,J.J. PROC.ROY.SOC. A 252, 506 (1959)
|
Hz ppm Int.
1827.00 6.090 1000