L-異亮氨醇(24629-25-2)紅外圖譜(IR1)
InChI:InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKey: VTQHAQXFSHDMHT-NTSWFWBYSA-N
Smiles:C(O)[C@@H](N)[C@@H](C)CC
-
Mass
MS-NW-5638
L-2-amino-3-methyl-1-pentanol
C6H15NO (Mass of molecular ion: 117)
Source Temperature: 280 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 3.6
17.0 1.8
18.0 9.4
27.0 7.6
28.0 11.5
29.0 10.7
30.0 40.6
31.0 4.1
39.0 5.6
41.0 22.7
42.0 23.3
43.0 6.0
44.0 16.4
45.0 1.2
53.0 1.9
54.0 2.5
55.0 6.4
56.0 9.6
57.0 8.1
58.0 5.7
59.0 2.0
60.0 100.0
61.0 2.9
67.0 1.2
68.0 1.8
69.0 17.7
70.0 6.4
71.0 3.6
72.0 2.7
74.0 11.2
83.0 1.1
84.0 3.7
85.0 2.4
86.0 78.3
87.0 5.0
98.0 1.5
100.0 9.7
126.0 1.3
128.0 3.7
154.0 1.7
168.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C6 H15 N O
|
0.043 g : 0.5 ml CDCl3
|
| L-2-amino-3-methyl-1-pentanol
|
 |
Assign. Shift(ppm)
A *1 3.63
B *1 3.32
C 2.66
D 2.24
E 1.60 to 1.16
F 0.90
G 0.89
400MHZ. : HSP-40-450
|
Hz ppm Int.
334.44 3.735 44
333.63 3.726 44
331.19 3.698 47
330.88 3.695 46
330.38 3.689 47
329.81 3.683 45
324.00 3.618 73
322.81 3.605 66
321.25 3.587 77
320.75 3.582 76
320.44 3.578 78
319.94 3.573 77
318.56 3.557 51
305.38 3.410 208
296.88 3.315 268
294.94 3.294 109
286.31 3.197 154
247.31 2.762 49
243.50 2.719 61
242.81 2.712 64
242.31 2.706 69
241.94 2.702 69
241.56 2.698 72
240.63 2.687 48
239.56 2.675 52
238.50 2.664 68
237.75 2.655 67
235.00 2.624 54
234.38 2.618 57
233.25 2.605 58
200.81 2.243 305
145.50 1.625 53
145.19 1.622 54
138.06 1.542 74
137.13 1.532 65
136.50 1.525 63
135.88 1.518 59
134.69 1.504 54
134.13 1.498 61
133.56 1.492 59
132.50 1.480 48
130.94 1.463 77
129.56 1.447 76
128.06 1.430 113
127.75 1.427 112
126.06 1.408 74
125.75 1.405 72
124.56 1.391 68
124.19 1.387 74
123.56 1.380 79
122.00 1.363 106
121.19 1.354 115
119.56 1.335 81
119.00 1.329 78
118.19 1.320 67
117.06 1.308 81
116.06 1.296 73
114.75 1.282 112
112.88 1.261 94
112.50 1.257 87
111.88 1.250 89
110.50 1.234 64
110.00 1.229 50
108.44 1.211 71
107.00 1.195 53
106.31 1.188 52
105.50 1.178 61
104.88 1.172 66
102.00 1.139 59
97.94 1.094 90
96.56 1.079 58
94.44 1.055 47
92.94 1.038 97
91.88 1.026 51
91.44 1.021 54
91.06 1.017 60
87.81 0.981 328
87.38 0.976 331
86.75 0.969 363
82.06 0.917 1000
79.63 0.890 466
75.88 0.848 618
72.44 0.809 146
71.38 0.798 104
69.50 0.777 54
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| 1H NMR |
399.65 MHz |
| C6 H15 N O
|
0.04 g : 0.5 ml CDCl3
|
| L-2-amino-3-methyl-1-pentanol
|
|
Assign. Shift(ppm)
A *1 3.638
B *1 3.330
C 3.01
D 2.672
E *2 1.500
F *2 1.391
G 1.172
J 0.904
K 0.881
J(A,B)=10.7HZ. J(A,D)=3.5HZ. J(B,D)=8.6HZ. J(D,G)=6.2HZ.
90MHZ. : HSP-03-555
|
Hz ppm Int.
1461.55 3.658 188
1458.01 3.649 191
1450.81 3.631 220
1447.27 3.622 214
1340.21 3.354 222
1331.67 3.333 237
1329.47 3.327 194
1320.92 3.306 199
1202.03 3.008 103
1077.03 2.695 89
1073.49 2.687 96
1070.80 2.680 98
1068.48 2.674 106
1067.26 2.671 111
1064.94 2.665 88
1062.26 2.658 93
1058.59 2.649 83
612.79 1.534 51
608.89 1.524 59
607.06 1.519 33
605.22 1.515 59
603.15 1.510 36
601.32 1.505 69
599.49 1.501 65
597.90 1.497 35
595.58 1.491 73
593.87 1.486 38
591.92 1.482 61
588.01 1.472 72
580.69 1.453 30
568.12 1.422 44
564.21 1.412 36
561.65 1.406 62
559.33 1.400 54
557.74 1.396 51
555.18 1.390 70
552.73 1.384 66
551.15 1.380 46
548.71 1.373 60
546.14 1.367 47
542.24 1.357 39
482.54 1.208 75
481.32 1.205 32
476.68 1.193 38
475.22 1.190 87
473.75 1.186 67
469.24 1.175 69
468.02 1.172 63
466.31 1.167 73
461.91 1.156 73
460.33 1.152 59
459.35 1.150 41
454.83 1.139 38
453.86 1.136 34
453.00 1.134 58
368.65 0.923 555
361.21 0.904 1000
355.22 0.889 979
353.76 0.886 496
348.39 0.872 859