3,4-二羥基-2'-氯苯乙酮(99-40-1)Raman光譜
InChI:InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
InChIKey: LWTJEJCZJFZKEL-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=C(O)C(O)=C1)CCl
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Mass
MS-NW-0206
2-chloro-3',4'-dihydroxyacetophenone
C8H7ClO3 (Mass of molecular ion: 186)
Source Temperature: 210 °C
Sample Temperature: 0 °C
Direct, 75 eV
27.0 3.4
29.0 1.3
38.0 1.5
39.0 2.9
42.0 1.1
49.0 1.4
50.0 3.9
51.0 7.5
52.0 5.0
53.0 4.6
55.0 4.6
62.0 2.5
63.0 4.8
65.0 1.3
68.5 1.0
77.0 3.3
79.0 1.5
80.0 1.2
81.0 8.9
91.0 1.5
107.0 1.0
108.0 2.2
109.0 21.4
110.0 2.0
123.0 5.6
136.0 2.2
137.0 100.0
138.0 8.0
152.0 1.4
186.0 18.9
187.0 1.9
188.0 6.4
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C8 H7 Cl O3
|
0.039 g : 0.5 ml DMSO-d6
|
| 2-chloro-3',4'-dihydroxyacetophenone
|
 |
Assign. Shift(ppm)
A 7.403
B 7.381
C 6.855
D 5.023
|
Hz ppm Int.
2964.32 7.418 128
2962.19 7.412 163
2956.09 7.397 118
2953.95 7.392 222
2950.59 7.383 358
2948.46 7.378 219
2743.84 6.866 263
2735.60 6.845 248
2007.45 5.024 1000
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| 1H NMR |
89.56 MHz |
| C8 H7 Cl O3
|
0.040 g : 0.5 ml DMSO-d6
|
| 2-chloro-3',4'-dihydroxyacetophenone
|
|
Assign. Shift(ppm)
A *1 10.00
B *1 9.41
C 7.39
D 7.36
E 6.849
F 4.996
|
Hz ppm Int.
896.04 10.005 73
842.72 9.410 71
667.97 7.459 80
665.77 7.434 143
664.53 7.420 36
664.09 7.416 38
661.23 7.384 211
659.18 7.361 441
656.84 7.335 62
617.21 6.892 194
615.01 6.868 51
610.84 6.821 50
610.03 6.812 32
608.50 6.795 142
447.51 4.997 1000
444.43 4.963 38