丙烯酸(79-10-7)核磁圖(1HNMR)
InChI:InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InChIKey: NIXOWILDQLNWCW-UHFFFAOYSA-N
Smiles:C(O)(=O)C=C
-
Mass
MS-NW-3742
acrylic acid
C3H4O2 (Mass of molecular ion: 72)
Source Temperature: 270 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
13.0 1.3
14.0 1.8
15.0 2.2
18.0 1.8
24.0 1.7
25.0 7.2
26.0 44.0
27.0 100.0
28.0 13.3
29.0 6.0
31.0 1.1
41.0 1.1
42.0 2.4
43.0 8.3
44.0 14.0
45.0 32.3
46.0 2.5
53.0 4.9
54.0 2.1
55.0 97.2
56.0 4.9
71.0 6.4
72.0 95.5
73.0 9.8
89.0 3.2
98.0 1.6
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C3 H4 O2
|
0.04 ml : 0.5 ml CDCl3
|
| acrylic acid
|
 |
Assign. Shift(ppm)
A 12.0
B 6.52
C 6.14
D 5.96
|
Hz ppm Int.
1073.93 11.992 489
595.92 6.654 287
592.50 6.616 300
580.29 6.480 665
576.87 6.442 813
571.06 6.377 85
563.02 6.287 516
553.03 6.175 1000
550.89 6.152 130
539.18 6.021 829
537.30 6.000 686
535.77 5.983 846
534.23 5.966 87
529.19 5.909 356
525.77 5.871 136
-
| 1H NMR |
300 MHz |
| C3 H4 O2
|
20 wt% in CDCl3
|
| acrylic acid
|
|
Parameter ppm Hz
D(A) 5.95
D(B) 6.53
D(C) 6.15
J(A,B) 1.8
J(A,C) 10.5
J(B,C) 17.2
D(D) 12.08
BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.9.2
|
Hz ppm Int.
3623.97 12.080 1000
1969.18 6.564 218
1967.29 6.558 224
1952.10 6.507 295
1950.21 6.501 301
1858.58 6.195 247
1848.12 6.160 329
1841.55 6.138 168
1831.10 6.104 260
1790.71 5.969 305
1788.82 5.963 305
1780.25 5.934 220
1778.37 5.928 209