1,8-二羥基蒽醌(117-10-2)紅外圖譜(IR2)
InChI:InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
InChIKey: QBPFLULOKWLNNW-UHFFFAOYSA-N
Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC=C3)=CC=C1
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Mass
MS-NW-4103
1,8-dihydroxyanthraquinone
C14H8O4 (Mass of molecular ion: 240)
Source Temperature: 180 °C
Sample Temperature: 120 °C
Direct, 75 eV
28.0 1.1
39.0 1.7
51.0 2.4
53.0 1.0
62.0 2.1
63.0 4.7
64.0 2.9
69.0 1.8
74.0 1.4
75.0 2.1
76.0 1.1
77.0 1.5
86.0 1.1
87.0 1.1
91.0 1.3
92.0 6.0
101.0 1.2
102.0 2.0
106.0 1.2
119.0 1.1
120.0 3.5
126.0 1.5
127.0 3.3
128.0 4.6
137.0 1.5
138.0 6.0
139.0 2.0
155.0 4.3
156.0 1.7
183.0 1.5
184.0 11.8
185.0 1.6
211.0 2.3
212.0 14.1
213.0 2.1
223.0 4.8
224.0 1.2
239.0 3.1
240.0 100.0
241.0 15.7
242.0 2.0
90 MHz in CDCl3
parameter in CDCl3
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| 1H NMR |
89.56 MHz |
| C14 H8 O4
|
0.045 g : 0.5 ml CDCl3
|
| 1,8-dihydroxyanthraquinone
|
 |
Assign. Shift(ppm)
A 11.98
B 7.759
C 7.654
D 7.256
|
Hz ppm Int.
1072.99 11.981 1000
701.88 7.837 136
700.00 7.816 216
694.45 7.755 621
692.57 7.734 677
691.71 7.724 413
683.85 7.636 474
676.42 7.553 186
653.77 7.300 490
651.98 7.280 487
645.91 7.213 297
644.12 7.193 301
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| 1H NMR |
300 MHz |
| C14 H8 O4
|
5 mol% in CDCl3
|
| 1,8-dihydroxyanthraquinone
|
|
Parameter ppm Hz
D(A) 7.794
D(B) 7.641
D(C) 7.257
D(D) 11.978
J(A,B) 7.51
J(A,C) 1.15
J(A,D) 0.0
J(B,C) 8.48
J(B,D) 0.41
J(C,D) 0.0
CRECELY,K.M. ET AL. J.MAGN.RESON. 1, 633 (1969)
|
Hz ppm Int.
3593.43 11.978 1000
2342.86 7.810 289
2341.71 7.806 298
2335.38 7.785 404
2334.19 7.781 404
2300.13 7.667 276
2291.86 7.640 340
2284.20 7.614 231
2181.75 7.272 377
2180.61 7.269 373
2173.35 7.244 325
2172.16 7.241 321