碘乙腈(624-75-9)Raman光譜
InChI:InChI=1S/C2H2IN/c3-1-2-4/h1H2
InChIKey: VODKOOOHHCAWFR-UHFFFAOYSA-N
Smiles:C(#N)CI
-
Mass
MS-IW-8608
iodoacetonitrile
C2H2IN (Mass of molecular ion: 167)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
13.0 1.0
28.0 1.2
38.0 3.0
39.0 2.8
40.0 46.8
41.0 3.3
43.0 1.6
127.0 43.0
128.0 4.5
139.0 5.8
140.0 1.5
141.0 1.2
166.0 3.5
167.0 100.0
168.0 3.3
-
| 1H NMR |
300 MHz |
| C2 H2 I N
|
0.05 ml : 0.5 ml CDCl3
|
| iodoacetonitrile
|
 |
Parameter ppm Hz
D(A) 3.553
J(H,C-13)=160 HZ.
|
Hz ppm Int.
1065.90 3.553 1000