5-碘香蘭素(5438-36-8)質(zhì)譜(MS)
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-8059
4-hydroxy-3-iodo-5-methoxybenzaldehyde
C8H7IO3 (Mass of molecular ion: 278)
Source Temperature: 170 °C
Sample Temperature: 100 °C
Direct, 75 eV
15.0 1.9
17.0 1.8
18.0 8.0
28.0 2.9
29.0 4.2
37.0 2.2
38.0 2.4
39.0 4.1
41.0 2.2
43.0 1.0
49.0 3.0
50.0 12.2
51.0 18.4
52.0 10.7
53.0 12.6
54.0 1.3
55.0 1.8
61.0 4.1
62.0 7.4
63.0 7.0
64.0 3.1
65.0 5.4
66.0 3.3
67.0 2.0
74.0 1.2
77.0 6.1
78.0 2.1
79.0 18.2
80.0 4.9
90.0 1.2
91.0 3.3
92.0 3.0
93.0 1.0
94.0 4.3
95.0 1.1
107.0 7.1
108.0 5.6
119.0 1.5
121.0 2.1
122.0 4.3
127.0 3.8
128.0 1.5
135.0 11.2
136.0 9.8
151.0 1.3
177.0 1.0
179.0 2.0
207.0 5.6
221.0 1.4
234.0 1.8
235.0 11.5
249.0 3.7
263.0 4.2
277.0 47.2
278.0 100.0
279.0 9.1
280.0 1.0
90 MHz in DMSO-d6
400 MHz in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C8 H7 I O3
|
0.040 g : 0.5 ml DMSO-d6
|
| 4-hydroxy-3-iodo-5-methoxybenzaldehyde
|
 |
Assign. Shift(ppm)
A 9.759
B 7.889
C 7.424
D 3.908
J(B,C)=1.7HZ
|
Hz ppm Int.
874.07 9.760 517
707.52 7.900 239
705.76 7.881 245
665.48 7.431 200
663.79 7.412 178
350.10 3.910 1000
345.85 3.862 43
344.53 3.847 24
-
| 1H NMR |
399.65 MHz |
| C8 H7 I O3
|
0.030 g : 0.5 ml DMSO-d6
|
| 4-hydroxy-3-iodo-5-methoxybenzaldehyde
|
|
Assign. Shift(ppm)
A 10.8
B 9.762
C 7.894
D 7.423
E 3.907
J(C,D)=1.7HZ
90MHZ:HSP-06-266 IN DMSO-D6
|
Hz ppm Int.
3901.45 9.763 555
3155.78 7.897 251
3154.13 7.893 282
2967.48 7.426 199
2965.83 7.422 211
1561.68 3.908 1000