N-乙酰-L-亮氨酸(1188-21-2)紅外圖譜(IR2)
InChI:InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey: WXNXCEHXYPACJF-ZETCQYMHSA-N
Smiles:C(O)(=O)[C@H](CC(C)C)NC(C)=O
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Mass
MS-NW-2004
N-acetyl-L-leucine
C8H15NO3 (Mass of molecular ion: 173)
Source Temperature: 200 °C
Sample Temperature: 200 °C
Direct, 75 eV
14.0 1.0
15.0 8.2
17.0 1.2
18.0 6.2
26.0 1.0
27.0 9.8
28.0 11.3
29.0 7.1
30.0 32.4
39.0 6.6
40.0 2.4
41.0 17.1
42.0 9.6
43.0 63.4
44.0 41.0
45.0 1.6
46.0 1.2
53.0 1.7
55.0 2.9
56.0 2.8
57.0 11.0
59.0 1.9
60.0 11.4
67.0 1.5
68.0 5.6
69.0 3.7
70.0 12.6
71.0 4.0
72.0 2.2
73.0 1.7
74.0 19.1
75.0 4.5
84.0 3.4
85.0 10.0
86.0 100.0
87.0 6.0
88.0 5.5
96.0 2.6
99.0 29.0
100.0 1.6
112.0 5.8
113.0 1.8
114.0 2.4
116.0 3.7
117.0 25.5
118.0 1.2
127.0 1.0
128.0 37.9
129.0 5.0
130.0 3.8
173.0 1.5
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C8 H15 N O3
|
0.040 g : 0.5 ml DMSO-d6
|
| N-acetyl-L-leucine
|
 |
Assign. Shift(ppm)
A 12.42
B 8.05
C 4.208
D 1.838
E 1.76 to 1.27
F *1 0.889
G *1 0.850
J(B,C)=7.8HZ.
|
Hz ppm Int.
725.04 8.096 43
717.18 8.008 46
380.42 4.248 44
373.24 4.168 45
164.58 1.838 1000
147.57 1.648 23
141.85 1.584 33
139.11 1.554 108
135.61 1.515 61
135.27 1.511 60
132.02 1.475 114
126.38 1.412 36
124.67 1.393 27
82.80 0.925 257
80.41 0.898 92
78.44 0.876 322
76.82 0.858 295
72.55 0.811 222
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| 1H NMR |
399.65 MHz |
| C8 H15 N O3
|
0.044 g : 0.5 ml DMSO-d6
|
| N-acetyl-L-leucine
|
|
Assign. Shift(ppm)
A 12.5
B 8.09
C 4.202
D 1.839
E 1.628
F *1 1.49
G *1 1.48
J *2 0.892
K *2 0.842
J(B,C)=7.9HZ.
F AND G WERE CONFIRMED BY LAOCN PRPGRAM.
|
Hz ppm Int.
3235.45 8.096 62
3227.58 8.077 63
1690.81 4.231 31
1684.77 4.216 38
1682.93 4.212 42
1681.83 4.209 43
1676.52 4.195 46
1675.97 4.194 47
1673.96 4.189 36
1667.91 4.174 32
735.23 1.840 1000
650.06 1.627 32
643.83 1.611 31
603.72 1.511 67
600.42 1.503 73
598.22 1.497 61
594.38 1.488 116
591.63 1.481 61
588.88 1.474 59
585.95 1.467 57
359.92 0.901 403
353.33 0.885 392
340.14 0.852 405
333.55 0.835 396