2-甲基-3-戊醇(565-67-3)Raman光譜
InChI:InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3
InChIKey: ISTJMQSHILQAEC-UHFFFAOYSA-N
Smiles:CC(C)C(O)CC
-
Mass
MS-NW-5456
2-methyl-3-pentanol
C6H14O (Mass of molecular ion: 102)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.4
27.0 10.9
28.0 2.1
29.0 9.0
30.0 1.2
31.0 36.7
39.0 6.8
40.0 1.2
41.0 25.4
42.0 3.1
43.0 15.4
45.0 11.9
53.0 1.2
55.0 22.8
56.0 2.7
57.0 7.1
58.0 16.2
59.0 100.0
60.0 3.5
69.0 4.3
72.0 1.4
73.0 42.3
74.0 1.9
84.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C6 H14 O
|
0.04 ml : 0.5 ml CDCl3
|
| 2-methyl-3-pentanol
|
 |
Assign. Shift(ppm)
A 3.272
B 1.88 to 1.19
C 1.51
D 0.93
E 0.92
400MHZ : HSP-41-221
|
Hz ppm Int.
301.94 3.372 45
296.94 3.316 60
294.44 3.288 52
292.44 3.266 49
289.69 3.235 74
284.81 3.181 50
153.63 1.716 40
152.00 1.698 40
148.06 1.654 39
146.75 1.639 51
145.25 1.622 47
143.56 1.603 44
141.56 1.581 40
141.19 1.577 41
139.81 1.562 86
138.75 1.550 39
137.31 1.534 43
136.00 1.519 88
134.94 1.507 851
131.88 1.473 84
129.88 1.451 56
129.19 1.443 87
128.38 1.434 62
127.38 1.423 78
124.81 1.394 45
123.00 1.374 64
121.44 1.356 75
120.69 1.348 47
115.44 1.289 47
93.44 1.044 138
92.50 1.033 241
91.69 1.024 183
84.75 0.947 1000
78.13 0.873 683
-
| 1H NMR |
399.65 MHz |
| C6 H14 O
|
0.05 ml : 0.5 ml CDCl3
|
| 2-methyl-3-pentanol
|
|
Assign. Shift(ppm)
A 3.265
B 2.03
C 1.662
D *1 1.523
E *1 1.394
F 0.957
G *2 0.914
J *2 0.908
J(A,C)=5.3HZ. J(A,D)=3.8HZ. J(A,E)=8.4HZ. J(C,G)=J(C,J)=6.8HZ.
J(D,E)=13.9HZ. J(D,F)=J(E,F)=7.5HZ.
|
Hz ppm Int.
1313.48 3.287 72
1309.57 3.277 82
1308.35 3.274 83
1304.81 3.265 115
1301.15 3.256 81
1299.80 3.253 82
1295.90 3.243 70
812.13 2.033 38
680.18 1.702 30
674.93 1.689 38
673.34 1.685 72
668.21 1.672 79
666.63 1.669 100
661.38 1.655 100
659.79 1.651 83
654.54 1.638 76
652.95 1.634 40
647.71 1.621 33
622.68 1.559 48
618.90 1.549 51
616.46 1.543 39
615.23 1.540 56
612.55 1.533 39
611.33 1.530 59
608.76 1.524 81
607.79 1.521 37
604.98 1.514 78
603.88 1.512 37
601.32 1.505 80
597.41 1.495 77
593.75 1.486 33
589.97 1.477 32
569.82 1.426 78
568.85 1.424 39
562.50 1.408 94
561.40 1.405 82
555.79 1.391 64
555.30 1.390 63
554.08 1.387 83
548.58 1.373 57
547.36 1.370 59
540.16 1.352 47
396.12 0.992 35
394.78 0.988 38
389.77 0.976 524
382.45 0.957 933
378.66 0.948 65
375.00 0.939 462
368.41 0.922 1000
366.21 0.917 890
361.57 0.905 861
359.38 0.900 784
352.66 0.883 37