1,2-二羥基蒽醌(72-48-0)紅外圖譜(IR2)
InChI:InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
InChIKey: RGCKGOZRHPZPFP-UHFFFAOYSA-N
Smiles:C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1O
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Mass
MS-NW-0273
alizarin
C14H8O4 (Mass of molecular ion: 240)
Source Temperature: 170 °C
Sample Temperature: 0 °C
Direct, 75 eV
50.0 2.5
51.0 3.5
62.0 1.2
63.0 2.3
64.0 1.6
69.0 1.4
74.0 1.7
75.0 2.3
76.0 2.5
77.0 4.2
78.0 1.1
79.0 1.5
87.0 1.1
92.0 4.1
101.0 1.7
102.0 2.0
105.0 2.7
106.0 1.3
120.0 2.0
126.0 2.6
127.0 4.6
128.0 6.3
135.0 1.0
137.0 1.7
138.0 6.9
139.0 1.7
155.0 2.4
156.0 1.5
183.0 4.1
184.0 6.2
211.0 3.2
212.0 10.9
213.0 1.6
239.0 10.5
240.0 100.0
241.0 15.6
242.0 1.9
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C14 H8 O4
|
0.038 g : 0.5 ml DMSO-d6
|
| alizarin
|
 |
Assign. Shift(ppm)
A *1 8.158
B *1 8.109
C 7.86
D 7.598
E 7.194 |
Hz ppm Int.
4653.34 11.644 25
3263.48 8.166 577
3256.33 8.148 659
3250.29 8.133 151
3244.43 8.119 614
3237.10 8.100 646
3155.78 7.897 258
3148.63 7.879 676
3143.14 7.865 1000
3137.83 7.852 616
3130.68 7.834 212
3041.11 7.610 856
3032.87 7.589 931
2879.38 7.205 742
2871.13 7.185 694
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| 1H NMR |
89.56 MHz |
| C14 H8 O4
|
0.046 g : 0.5 ml DMSO-d6
|
| alizarin
|
|
Assign. Shift(ppm)
A *1 12.57
B *1 10.8
C 8.12
D 7.88
E 7.588
F 7.195
|
Hz ppm Int.
1125.62 12.569 822
966.94 10.797 187
739.73 8.260 47
738.88 8.251 50
735.21 8.210 282
730.42 8.156 580
726.57 8.113 793
724.10 8.086 515
722.30 8.065 660
718.97 8.028 209
717.52 8.012 174
713.24 7.964 257
708.97 7.917 1000
704.53 7.867 691
700.00 7.816 546
695.04 7.761 101
693.25 7.741 63
692.74 7.735 62
691.88 7.726 60
691.37 7.720 58
690.77 7.713 56
690.43 7.710 58
689.83 7.703 61
689.40 7.698 56
688.98 7.693 54
688.55 7.689 55
684.53 7.644 598
681.63 7.611 93
681.12 7.606 90
680.18 7.595 77
676.25 7.551 903
672.14 7.505 68
670.35 7.485 47
661.89 7.391 49
661.04 7.381 45
652.58 7.287 44
652.15 7.282 48
651.12 7.271 66
647.71 7.233 881
644.20 7.193 105
643.52 7.186 98
643.09 7.181 98
639.42 7.140 581
636.60 7.109 66
635.66 7.098 51
635.23 7.093 42