3-氨基丁酸(2835-82-7)核磁圖(13CNMR)
InChI:InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey: OQEBBZSWEGYTPG-UHFFFAOYSA-N
Smiles:C(N)(C)CC(=O)O
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Mass
MS-NW-8159
DL-3-amino-n-butyric acid
C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 200 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 2.8
18.0 16.3
27.0 2.8
28.0 10.7
29.0 1.1
30.0 1.2
39.0 2.7
40.0 1.6
41.0 5.6
42.0 17.2
43.0 19.6
44.0 100.0
45.0 4.7
46.0 4.8
56.0 1.1
57.0 2.5
58.0 1.7
60.0 1.5
70.0 21.4
84.0 2.3
88.0 14.7
103.0 1.4
90 MHz in D2O
400 MHz in D2O
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| 1H NMR |
89.56 MHz |
| C4 H9 N O2
|
0.045 g : 0.5 ml D2O
|
| DL-3-amino-N-butyric acid
|
 |
Assign. Shift(ppm)
A 3.615
B 2.499
C 1.324
SOLVENT PEAK REMOVED
|
Hz ppm Int.
334.11 3.731 89
327.70 3.660 183
320.95 3.584 198
314.03 3.507 115
307.53 3.434 33
226.61 2.531 768
220.12 2.458 560
121.85 1.361 1000
115.19 1.287 931
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| 1H NMR |
399.65 MHz |
| C4 H9 N O2
|
0.036 g : 0.5 ml D2O
|
| DL-3-amino-N-butyric acid
|
|
Assign. Shift(ppm)
A 3.616
B 3.501
C 1.324
THE SOLVENT PEAK SUPPRESSED.
|
Hz ppm Int.
1462.04 3.659 30
1455.44 3.642 110
1448.73 3.625 203
1445.31 3.617 59
1442.02 3.609 204
1435.30 3.592 111
1001.34 2.506 605
995.12 2.490 448
993.90 2.487 441
544.56 1.363 38
543.82 1.361 39
542.85 1.359 41
532.35 1.333 1000
525.63 1.316 942