3-碘丙酸(141-76-4)核磁圖(1HNMR)
InChI:InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
InChIKey: KMRNTNDWADEIIX-UHFFFAOYSA-N
Smiles:C(O)(=O)CCI
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Mass
MS-NW-4975
3-iodopropionic acid
C3H5IO2 (Mass of molecular ion: 200)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 1.8
15.0 1.7
18.0 2.9
25.0 2.0
26.0 14.0
27.0 55.3
28.0 18.6
29.0 38.5
30.0 1.0
31.0 3.3
32.0 1.7
42.0 5.8
43.0 8.8
44.0 3.1
45.0 36.1
46.0 1.0
53.0 1.3
55.0 13.8
56.0 1.0
72.0 6.4
73.0 100.0
74.0 3.8
127.0 17.3
128.0 21.8
141.0 1.3
155.0 8.3
200.0 30.8
201.0 1.2
90 MHz in D2O
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C3 H5 I O2
|
0.044 g : 0.5 ml D2O
|
| 3-iodopropionic acid
|
 |
Assign. Shift(ppm)
A 3.340
B 3.056
SOLVENT PEAK REMOVED
|
Hz ppm Int.
308.13 3.441 352
306.38 3.421 406
302.31 3.376 505
300.69 3.358 682
299.94 3.350 984
294.88 3.293 928
293.75 3.280 990
279.25 3.119 1000
278.13 3.106 899
272.94 3.048 995
272.31 3.041 668
270.69 3.023 515
266.63 2.978 419
264.81 2.957 361
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| 1H NMR |
399.65 MHz |
| C3 H5 I O2
|
0.039 g : 0.5 ml DMSO-d6
|
| 3-iodopropionic acid
|
|
Assign. Shift(ppm)
A 3.303
B 2.904
|
Hz ppm Int.
1327.04 3.321 456
1320.26 3.304 1000
1313.67 3.288 534
1167.50 2.922 534
1160.91 2.905 967
1154.13 2.888 449