1,4-二羥基蒽醌(81-64-1)紅外圖譜(IR2)
InChI:InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChIKey: GUEIZVNYDFNHJU-UHFFFAOYSA-N
Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C=C1
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Mass
MS-NW-6979
1,4-dihydroxyanthraquinone
C14H8O4 (Mass of molecular ion: 240)
Source Temperature: 220 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 2.8
28.0 1.3
39.0 1.1
50.0 2.6
51.0 5.4
52.0 1.1
53.0 2.6
55.0 1.4
62.0 1.0
63.0 2.5
63.5 1.0
64.0 3.0
66.0 1.2
74.0 2.1
75.0 3.8
76.0 3.4
77.0 4.7
78.0 2.1
79.0 2.3
92.0 3.7
101.0 3.2
102.0 6.7
105.0 2.2
120.0 3.5
126.0 1.7
127.0 4.0
128.0 7.4
129.0 2.1
139.0 1.0
155.0 2.2
156.0 1.3
157.0 1.2
158.0 1.6
183.0 4.9
184.0 3.4
211.0 1.5
212.0 3.9
239.0 14.9
240.0 100.0
241.0 15.2
242.0 2.1
400 MHz in CDCl3
parameter in CDCl3
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| 1H NMR |
399.65 MHz |
| C14 H8 O4
|
saturated in CDCl3
|
| 1,4-dihydroxyanthraquinone
|
 |
Assign. Shift(ppm)
A 12.9
B 8.323
C 7.826
D 7.290
|
Hz ppm Int.
5145.08 12.874 953
3335.18 8.346 32
3334.33 8.344 35
3330.69 8.335 254
3327.49 8.327 233
3324.92 8.320 225
3321.51 8.312 261
3317.87 8.302 35
3136.45 7.848 39
3135.60 7.846 42
3132.18 7.838 301
3128.76 7.829 257
3126.20 7.823 246
3122.99 7.815 271
3121.07 7.810 21
3119.36 7.806 32
3118.51 7.804 23
2913.80 7.291 1000
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| 1H NMR |
300 MHz |
| C14 H8 O4
|
5 mol% in CDCl3
|
| 1,4-dihydroxyanthraquinone
|
|
Parameter ppm Hz
D(A) 8.300
D(B) 7.790
J(A,A') 0.56
J(A,B) 7.86
J(A,B') 1.31
J(A',B) 1.31
J(A',B') 7.86
J(B,B') 7.40
D(C) 7.259
D(D) 12.807
J(C,C') 0.0
J(C,D) 0.0
J(C,D') 0.42
J(C',D) 0.42
J(C',D') 0.0
J(D,D') 0.0
CRECELY,K.M. ET AL. J.MAGN.RESON. 1, 633 (1969)
|
Hz ppm Int.
3842.12 12.807 1000
2499.28 8.331 22
2498.30 8.328 27
2494.68 8.316 305
2491.38 8.305 290
2488.90 8.296 280
2485.54 8.285 350
2481.93 8.273 33
2481.05 8.270 28
2345.97 7.820 29
2345.15 7.817 34
2341.48 7.805 344
2338.12 7.794 280
2335.70 7.786 285
2332.34 7.774 311
2328.78 7.763 27
2327.80 7.759 22
2177.74 7.259 1000