1-己烯-3-醇(4798-44-1)核磁圖(1HNMR)
InChI:InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
InChIKey: BVOSSZSHBZQJOI-UHFFFAOYSA-N
Smiles:C=CC(O)CCC
-
Mass
MS-NW-5336
1-hexen-3-ol
C6H12O (Mass of molecular ion: 100)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.1
26.0 1.6
27.0 15.2
28.0 3.0
29.0 17.3
31.0 6.8
39.0 7.2
40.0 1.2
41.0 11.0
42.0 1.4
43.0 9.8
44.0 2.9
45.0 1.5
53.0 3.5
54.0 1.7
55.0 6.4
56.0 2.2
57.0 100.0
58.0 5.5
67.0 4.2
71.0 9.2
72.0 12.4
73.0 1.2
82.0 3.4
83.0 1.6
85.0 2.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H12 O
|
0.05 ml : 0.5 ml CDCl3
|
| 1-hexen-3-ol
|
 |
Assign. Shift(ppm)
A 5.847
B 5.201
C 5.077
D 4.081
E 2.68
F 1.50
G 1.38
J 0.926
J(A,B)=17.2HZ. J(A,C)=10.4HZ. J(A,D)=6.2HZ.
|
Hz ppm Int.
2354.61 5.892 137
2348.39 5.877 139
2344.24 5.866 151
2337.89 5.850 188
2337.40 5.849 195
2331.18 5.834 160
2327.03 5.823 168
2320.68 5.807 165
2088.38 5.226 190
2087.04 5.223 257
2086.67 5.222 251
2085.45 5.219 209
2071.17 5.183 172
2069.82 5.180 232
2069.46 5.179 223
2068.24 5.176 185
2035.77 5.094 198
2034.55 5.091 235
2034.06 5.090 222
2032.96 5.087 200
2025.39 5.068 183
2024.17 5.065 225
2023.68 5.064 217
2022.58 5.061 192
1641.85 4.109 34
1640.63 4.106 58
1639.53 4.103 46
1634.40 4.090 127
1633.79 4.089 121
1630.86 4.081 37
1627.93 4.074 136
1622.80 4.061 43
1621.58 4.058 68
1620.48 4.055 45
1068.36 2.674 189
626.95 1.569 30
625.24 1.565 35
620.48 1.553 32
618.90 1.549 96
616.33 1.543 53
613.40 1.535 101
612.06 1.532 91
609.50 1.526 113
608.03 1.522 74
606.69 1.519 92
604.61 1.513 103
603.88 1.512 91
601.44 1.505 90
600.34 1.503 45
599.49 1.501 68
598.14 1.497 131
595.46 1.490 119
593.26 1.485 106
591.43 1.480 81
589.48 1.475 223
583.74 1.461 139
581.91 1.457 59
580.20 1.452 48
578.61 1.448 55
576.54 1.443 114
574.71 1.439 58
573.61 1.436 53
572.27 1.432 52
571.17 1.430 56
569.34 1.425 119
568.12 1.422 63
566.28 1.417 50
563.96 1.412 86
562.26 1.407 127
561.28 1.405 87
559.33 1.400 74
556.64 1.393 95
554.93 1.389 105
554.08 1.387 95
552.61 1.383 70
551.64 1.381 52
550.78 1.379 71
549.56 1.376 76
547.61 1.371 114
545.90 1.366 86
543.46 1.360 77
542.72 1.358 65
541.63 1.356 69
540.28 1.352 85
538.94 1.349 86
536.13 1.342 54
534.79 1.339 38
533.08 1.334 69
531.98 1.332 51
526.00 1.317 37
383.67 0.961 33
377.20 0.944 556
369.87 0.926 1000
365.60 0.915 107
362.67 0.908 421
358.40 0.897 43
357.42 0.895 34
356.20 0.892 39
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| 1H NMR |
89.56 MHz |
| C6 H12 O
|
0.04 ml : 0.5 ml CDCl3
|
| 1-hexen-3-ol
|
|
Assign. Shift(ppm)
A 5.842
B 5.21
C 5.06
D 4.08
E 2.04
F 1.50
G 1.38
J 0.93
|
Hz ppm Int.
543.00 6.063 117
536.88 5.995 126
532.88 5.950 150
526.88 5.883 168
525.75 5.871 205
519.69 5.803 215
515.63 5.758 253
509.63 5.691 283
475.19 5.306 237
474.00 5.293 263
473.25 5.285 355
472.13 5.272 331
461.25 5.151 295
460.13 5.138 309
459.31 5.129 237
458.19 5.117 266
456.75 5.100 208
456.00 5.092 184
454.88 5.080 188
451.19 5.038 200
450.00 5.025 224
449.25 5.017 199
448.13 5.004 190
375.81 4.197 41
369.69 4.128 128
363.56 4.060 134
357.38 3.991 54
183.00 2.044 1000
134.25 1.499 308
133.25 1.488 322
131.38 1.467 395
130.06 1.453 435
129.13 1.442 356
89.81 1.003 283
83.25 0.930 575
81.88 0.915 287
80.81 0.903 326