丙烯腈(107-13-1)Raman光譜
InChI:InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InChIKey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
Smiles:C(#N)C=C
-
Mass
MS-NW-2179
acrylonitrile
C3H3N (Mass of molecular ion: 53)
Source Temperature: 280 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
12.0 1.3
18.0 1.1
24.0 1.7
25.0 5.4
26.0 83.6
27.0 13.2
28.0 2.8
36.0 1.4
37.0 3.0
38.0 4.2
39.0 1.5
50.0 5.8
51.0 28.2
52.0 72.1
53.0 100.0
54.0 3.6
parameter neat
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C3 H3 N
|
neat
|
| acrylonitrile
|
 |
Parameter ppm Hz
D(A) 6.077
D(B) 6.203
D(C) 5.703
J(A,B) 0.91
J(A,C) 11.75
J(B,C) 17.92
HOBGOOD,R.T. ET AL. J.CHEM.PHYS. 39, 2501 (1963)
|
Hz ppm Int.
1870.85 6.236 758
1869.89 6.233 769
1853.01 6.177 937
1852.03 6.173 998
1829.75 6.099 770
1828.78 6.096 784
1818.02 6.060 1000
1817.05 6.057 913
1724.85 5.749 956
1713.12 5.710 768
1707.01 5.690 747
1695.27 5.651 613
-
| 1H NMR |
89.56 MHz |
| C3 H3 N
|
0.02 ml : 0.5 ml CDCl3
|
| acrylonitrile
|
|
Assign. Shift(ppm)
A 6.24
B 6.11
C 5.69
|
Hz ppm Int.
569.25 6.357 443
567.69 6.339 458
551.88 6.163 657
550.31 6.145 1000
548.81 6.128 35
540.56 6.036 895
539.06 6.019 551
519.94 5.806 950
508.44 5.678 444
502.56 5.612 495
491.06 5.484 297