1,8,9-三羟基蒽(480-22-8)红外图谱(IR2)
InChI:InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
InChIKey: YUTJCNNFTOIOGT-UHFFFAOYSA-N
Smiles:C1(O)=C2C(C=C3C(=C2O)C(O)=CC=C3)=CC=C1
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Mass
MS-NW-7088
1,8,9-anthracenetriol
C14H10O3 (Mass of molecular ion: 226)
Source Temperature: 200 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 1.6
39.0 2.3
50.0 1.4
51.0 2.6
57.5 1.0
62.0 1.7
63.0 4.5
69.5 1.0
70.0 1.1
74.0 1.5
75.0 3.5
75.5 3.1
76.0 9.3
76.5 1.3
77.0 1.8
84.0 2.7
87.0 1.4
89.0 1.4
90.0 1.9
98.5 2.0
99.0 2.4
104.0 2.8
113.0 3.1
115.0 4.4
126.0 1.0
139.0 3.7
140.0 1.1
141.0 4.1
150.0 3.2
151.0 7.3
152.0 10.4
153.0 2.4
168.0 1.8
169.0 4.0
170.0 1.2
180.0 6.2
181.0 5.6
182.0 1.0
197.0 15.2
198.0 15.5
199.0 2.4
208.0 1.0
209.0 1.3
210.0 2.5
225.0 5.2
226.0 100.0
227.0 15.5
228.0 1.8
240.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C14 H10 O3
|
0.046 g : 0.5 ml CDCl3
|
| 1,8,9-anthracenetriol
|
 |
Assign. Shift(ppm)
A 12.21
B 7.423
C 6.83
D 4.241
|
Hz ppm Int.
4881.57 12.215 43
4879.19 12.209 1000
2974.81 7.444 232
2966.75 7.424 377
2963.27 7.415 22
2959.05 7.405 257
2742.74 6.863 26
2741.64 6.861 24
2740.90 6.859 21
2732.29 6.837 569
2725.15 6.819 386
2724.24 6.817 667
2723.50 6.815 387
1694.84 4.241 424
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| 1H NMR |
89.56 MHz |
| C14 H10 O3
|
0.042 g : 0.5 ml CDCl3
|
| 1,8,9-anthracenetriol
|
|
Assign. Shift(ppm)
A 12.22
B 7.437
C 6.86
D 4.28
|
Hz ppm Int.
1094.35 12.220 1000
675.05 7.538 182
667.79 7.457 256
666.50 7.442 259
659.24 7.361 320
617.63 6.897 661
616.94 6.889 575
613.53 6.851 57
609.68 6.808 526
609.00 6.800 450
383.24 4.280 906
379.31 4.236 52
378.54 4.227 41
378.03 4.221 38