對(duì)羥基苯乙酮(99-93-4)質(zhì)譜(MS)
InChI:InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKey: TXFPEBPIARQUIG-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=C(O)C=C1)C
-
Mass
MS-NW-8737
4'-hydroxyacetophenone
C8H8O2 (Mass of molecular ion: 136)
Source Temperature: 290 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 4.2
27.0 1.0
38.0 2.1
39.0 11.8
43.0 7.3
50.0 1.8
51.0 2.2
53.0 2.8
62.0 1.8
63.0 4.2
64.0 2.4
65.0 22.3
66.0 2.2
77.0 2.4
92.0 1.7
93.0 33.2
94.0 3.0
107.0 1.1
121.0 100.0
122.0 7.9
136.0 33.4
137.0 3.1
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C8 H8 O2
|
0.040 g : 0.5 ml CDCl3
|
| 4'-hydroxyacetophenone
|
 |
Assign. Shift(ppm)
A 8.69
B 7.925
C 6.985
D 2.601
|
Hz ppm Int.
3472.17 8.689 33
3174.80 7.944 42
3172.00 7.937 277
3169.92 7.932 88
3165.28 7.921 96
3163.21 7.915 284
3160.40 7.908 33
2798.71 7.003 45
2795.90 6.996 296
2793.82 6.991 89
2789.06 6.979 94
2786.99 6.974 276
2784.18 6.967 31
1039.79 2.602 1000
-
| 1H NMR |
89.56 MHz |
| C8 H8 O2
|
0.032 g : 0.5 ml CDCl3
|
| 4'-hydroxyacetophenone
|
|
Assign. Shift(ppm)
A 8.5
B 7.915
C 6.974
D 2.593
|
Hz ppm Int.
758.88 8.474 25
716.44 8.000 32
713.63 7.969 194
711.56 7.946 64
709.06 7.918 24
706.81 7.893 81
704.69 7.869 227
702.00 7.839 31
631.38 7.050 38
628.56 7.019 238
626.44 6.995 70
621.75 6.943 69
619.63 6.919 186
616.94 6.889 24
232.25 2.594 1000