对苯二腈(623-26-7)ESR图谱
InChI:InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H
InChIKey: BHXFKXOIODIUJO-UHFFFAOYSA-N
Smiles:C1(C#N)=CC=C(C#N)C=C1
-
Mass
MS-NW-1447
terephthalonitrile
C8H4N2 (Mass of molecular ion: 128)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
26.0 1.6
37.0 3.5
38.0 1.7
39.0 1.4
49.0 1.5
50.0 10.2
51.0 4.1
52.0 1.9
61.0 1.1
62.0 1.1
63.0 1.9
64.0 6.4
74.0 2.7
75.0 8.6
76.0 6.2
77.0 3.0
88.0 1.7
99.0 1.6
100.0 3.4
101.0 20.7
102.0 3.0
128.0 100.0
129.0 9.4
-
| 1H NMR |
300 MHz |
| C8 H4 N2
|
0.044 g : 0.5 ml CDCl3
|
| terephthalonitrile
|
 |
Parameter ppm Hz
D(A) 7.800
|
Hz ppm Int.
2340.00 7.800 1000
ANION RADICAL, RED. WITH ALKALI METAL IN DME-THF