(S)-(+)-2-氨基-1-丁醇(5856-62-2)核磁圖(13CNMR)
InChI:InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKey: JCBPETKZIGVZRE-BYPYZUCNSA-N
Smiles:C(O)[C@@H](N)CC
-
Mass
MS-NW-6037
(+)-2-amino-1-butanol
C4H11NO (Mass of molecular ion: 89)
Source Temperature: 250 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 3.7
18.0 5.4
26.0 1.2
27.0 4.6
28.0 10.2
29.0 3.2
30.0 16.1
31.0 3.7
39.0 3.0
41.0 26.7
42.0 15.6
43.0 8.3
44.0 2.2
54.0 1.3
56.0 5.3
57.0 1.8
58.0 100.0
59.0 4.6
60.0 19.0
70.0 1.8
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C4 H11 N O
|
0.05 ml : 0.5 ml CDCl3
|
| (+)-2-amino-1-butanol
|
 |
Assign. Shift(ppm)
A *1 3.568
B *1 3.28
C 3.25
D 2.734
E *2 1.440
F *2 1.289
G 0.938
|
Hz ppm Int.
1430.79 3.581 72
1419.92 3.553 82
1104.37 2.764 30
1096.68 2.745 75
1091.19 2.731 82
1087.40 2.721 75
1079.96 2.703 32
590.58 1.478 58
584.72 1.464 85
583.13 1.460 72
577.15 1.445 132
571.17 1.430 96
569.46 1.425 109
563.60 1.411 86
562.01 1.407 46
556.15 1.392 32
528.44 1.323 106
521.00 1.304 166
514.53 1.288 105
513.55 1.285 132
507.20 1.270 117
499.88 1.251 80
381.96 0.956 589
374.51 0.938 1000
366.94 0.919 496
-
| 1H NMR |
89.56 MHz |
| C4 H11 N O
|
0.05 ml : 0.5 ml CDCl3
|
| (+)-2-amino-1-butanol
|
|
Assign. Shift(ppm)
A *1 3.55
B *1 3.274
C 2.83
D 2.74
E 1.34
F 0.945
J(A,B)=-10.6HZ, J(A,D)=3.9HZ, J(B,D)=7.5HZ
|
Hz ppm Int.
327.34 3.655 81
323.34 3.611 97
316.60 3.536 178
312.70 3.492 189
301.46 3.367 330
294.04 3.284 402
290.92 3.249 176
283.40 3.165 232
277.93 3.104 40
275.49 3.077 32
274.32 3.063 34
273.93 3.059 35
273.05 3.049 35
272.07 3.038 37
270.80 3.024 40
270.21 3.018 42
270.02 3.015 42
269.53 3.010 42
267.97 2.993 46
253.81 2.834 802
245.41 2.741 274
243.75 2.722 270
239.45 2.674 206
236.52 2.641 144
232.23 2.594 97
227.83 2.544 39
226.95 2.535 38
225.78 2.521 33
225.10 2.514 31
224.71 2.510 31
146.29 1.634 34
141.11 1.576 68
138.48 1.547 53
134.47 1.502 114
132.81 1.483 177
131.15 1.465 76
126.95 1.418 302
125.00 1.396 231
121.39 1.356 193
119.53 1.335 404
112.79 1.260 284
106.74 1.192 155
103.13 1.152 44
100.68 1.125 81
99.22 1.108 80
97.95 1.094 42
97.46 1.089 41
94.34 1.054 113
90.82 1.015 818
83.40 0.932 1000
77.64 0.867 286
76.37 0.853 365
74.51 0.832 232
71.48 0.799 57
69.14 0.772 39
67.77 0.757 35
67.09 0.750 34