5-碘水楊酸(119-30-2)紅外圖譜(IR2)
InChI:InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey: SWDNKOFGNPGRPI-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC(I)=CC=C1O
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Mass
MS-KW-0207
5-iodosalicylic acid
C7H5IO3 (Mass of molecular ion: 264)
Source Temperature: 150 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 3.0
28.0 1.1
32.0 1.2
37.0 1.3
38.0 2.2
39.0 2.6
45.0 1.3
50.0 1.2
53.0 5.1
61.0 1.9
62.0 4.4
63.0 20.9
64.0 3.8
74.0 1.0
81.0 1.5
91.0 5.3
92.0 3.0
95.0 2.3
109.0 8.6
119.0 1.3
123.0 8.2
124.0 1.0
127.0 1.6
128.0 1.0
132.0 2.0
154.0 1.0
190.0 4.8
191.0 1.0
218.0 21.6
219.0 2.5
246.0 100.0
247.0 8.7
264.0 69.9
265.0 5.5
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C7 H5 I O3
|
0.044 g : 0.5 ml DMSO-d6
|
| 5-iodosalicylic acid
|
 |
Assign. Shift(ppm)
A 11.4
B 8.036
C 7.777
D 6.818
J(B,C)=2.3HZ
J(C,D)=8.7HZ
|
Hz ppm Int.
1026.50 11.462 62
722.99 8.073 41
721.02 8.051 799
718.71 8.025 1000
715.98 7.995 39
715.64 7.991 38
714.87 7.983 39
702.31 7.842 564
700.00 7.816 422
698.29 7.797 57
697.18 7.785 40
693.68 7.746 622
691.28 7.719 537
614.81 6.865 898
613.44 6.850 151
612.24 6.837 61
606.09 6.768 771
603.87 6.743 46
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| 1H NMR |
399.65 MHz |
| C7 H5 I O3
|
0.038 g : 0.5 ml DMSO-d6
|
| 5-iodosalicylic acid
|
|
Assign. Shift(ppm)
A 8.038
B 7.787
C 6.825
|
Hz ppm Int.
3213.65 8.042 917
3211.36 8.036 1000
3117.83 7.802 553
3115.54 7.796 497
3112.34 7.788 41
3109.13 7.780 538
3106.84 7.774 525
2732.24 6.837 888
2727.97 6.826 34
2723.54 6.815 862