2,6-二羥基苯乙酮(699-83-2)紅外圖譜(IR1)
InChI:InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
InChIKey: YPTJKHVBDCRKNF-UHFFFAOYSA-N
Smiles:C(=O)(C1=C(O)C=CC=C1O)C
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Mass
MS-NW-6522
2',6'-dihydroxyacetophenone
C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 140 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 1.8
18.0 1.5
27.0 3.8
28.0 1.6
29.0 1.4
37.0 1.1
38.0 2.4
39.0 6.8
41.0 1.1
42.0 1.1
43.0 12.0
50.0 1.9
51.0 4.4
52.0 3.7
53.0 4.7
54.0 1.2
55.0 4.4
62.0 1.9
63.0 3.1
66.0 1.0
68.5 2.8
69.0 2.4
77.0 2.6
78.0 3.1
79.0 1.0
80.0 1.3
81.0 12.8
82.0 1.2
91.0 1.3
105.0 1.9
106.0 1.4
107.0 1.6
108.0 2.4
109.0 2.1
110.0 1.2
123.0 1.7
134.0 1.6
137.0 100.0
138.0 8.3
139.0 1.0
152.0 52.1
153.0 4.9
400 MHz in DMSO-d6
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H8 O3
|
0.038 g : 0.5 ml DMSO-d6
|
| 2',6'-dihydroxyacetophenone
|
 |
Assign. Shift(ppm)
A 11.8
B 7.262
C 6.392
D 2.655
|
Hz ppm Int.
4729.72 11.835 613
2910.70 7.284 91
2902.64 7.263 175
2894.40 7.243 98
2558.65 6.403 387
2550.41 6.382 370
1061.45 2.656 1000
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| 1H NMR |
89.56 MHz |
| C8 H8 O3
|
0.043 g : 0.5 ml CDCl3
|
| 2',6'-dihydroxyacetophenone
|
|
Assign. Shift(ppm)
A 9.63
B 7.24
C 6.41
D 2.752
|
Hz ppm Int.
867.81 9.690 28
867.50 9.687 32
862.13 9.627 183
858.25 9.583 33
656.81 7.334 68
651.31 7.273 27
649.00 7.247 105
648.19 7.238 98
640.44 7.151 101
577.31 6.447 311
575.31 6.424 37
572.25 6.390 27
569.19 6.356 229
566.88 6.330 26
249.56 2.787 77
246.56 2.754 1000
243.44 2.719 42