蒽醌(84-65-1)質譜(MS)
InChI:InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N
Smiles:C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1
-
Mass
MS-NW-0320
anthraquinone
C14H8O2 (Mass of molecular ion: 208)
Source Temperature: 140 °C
Sample Temperature: 100 °C
Direct, 75 eV
39.0 1.3
50.0 8.1
51.0 2.7
62.0 1.6
63.0 6.5
74.0 5.6
75.0 9.1
75.5 4.3
76.0 29.0
76.5 2.4
77.0 4.1
86.0 1.1
87.0 1.7
89.5 1.0
90.0 6.0
98.0 1.5
99.0 1.7
101.0 1.0
102.0 1.7
103.5 1.0
104.0 1.4
125.0 1.9
126.0 6.3
150.0 9.4
151.0 22.9
152.0 48.0
153.0 6.3
179.0 4.0
180.0 79.6
181.0 11.4
182.0 1.0
207.0 13.7
208.0 100.0
209.0 15.5
210.0 1.6
parameter in CDCl3
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C14 H8 O2
|
in CDCl3
|
| anthraquinone
|
 |
Parameter ppm Hz
D(A) 8.34
D(B) 7.83
J(A,A') 0.5
J(A,B) 8.1
J(A,B') 1.2
J(A',B) 1.2
J(A',B') 8.1
J(B,B') 7.6
SHARPLESS,N.E. & BRADLEY,R.B. ORG.MAGN.RESON. 6, 115 (1974)
|
Hz ppm Int.
2511.48 8.372 67
2510.59 8.369 79
2506.76 8.356 887
2503.44 8.345 820
2500.78 8.336 803
2497.46 8.325 1000
2493.57 8.312 99
2492.82 8.309 87
2358.18 7.861 87
2357.44 7.858 99
2353.55 7.845 999
2350.23 7.834 799
2347.56 7.825 820
2344.24 7.814 887
2340.42 7.801 79
2339.53 7.798 67
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| 1H NMR |
399.65 MHz |
| C14 H8 O2
|
saturated in CDCl3
|
| anthraquinone
|
|
Assign. Shift(ppm)
A 8.324
B 7.810
|
Hz ppm Int.
3336.18 8.348 65
3335.21 8.346 80
3334.11 8.343 31
3333.37 8.341 33
3331.67 8.337 864
3329.71 8.332 60
3328.25 8.328 682
3325.81 8.322 629
3322.51 8.314 1000
3320.92 8.310 45
3318.85 8.305 80
3317.99 8.303 67
3130.49 7.834 82
3129.52 7.831 98
3128.78 7.829 44
3128.30 7.828 42
3125.98 7.822 947
3122.68 7.814 629
3120.12 7.808 698
3116.82 7.799 935
3115.11 7.795 31
3114.75 7.794 30
3113.28 7.791 74
3112.30 7.788 52
SEMIQUINONE ANION RADICAL, RED. WITH GLUCOSE
SEMIQUINONE ANION RADICAL, DAYLIGHT PHOTOLYSIS