2-環(huán)戊烷乙醇(766-00-7)紅外圖譜(IR1)
InChI:InChI=1S/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2
InChIKey: JEXQWCBPEWHFKC-UHFFFAOYSA-N
Smiles:C1(CCO)CCCC1
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Mass
MS-NW-2210
cyclopentaneethanol
C7H14O (Mass of molecular ion: 114)
Source Temperature: 270 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 1.3
27.0 10.6
28.0 2.5
29.0 8.4
31.0 11.0
39.0 13.4
40.0 3.8
41.0 40.7
42.0 9.6
43.0 4.8
44.0 5.8
45.0 2.4
51.0 1.2
53.0 7.5
54.0 12.3
55.0 36.9
56.0 7.0
57.0 7.3
58.0 1.0
65.0 1.2
66.0 7.6
67.0 99.6
68.0 100.0
69.0 15.4
71.0 1.9
79.0 1.5
81.0 23.9
82.0 2.2
83.0 7.5
95.0 3.0
96.0 4.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H14 O
|
0.05 ml : 0.5 ml CDCl3
|
| cyclopentaneethanol
|
 |
Assign. Shift(ppm)
A 3.623
B 2.81
C 1.84
D *1 1.77
E *2 1.59
F 1.586
G *2 1.51
J *1 1.104
|
Hz ppm Int.
1456.67 3.645 149
1452.76 3.636 183
1449.83 3.628 276
1446.17 3.619 274
1443.12 3.611 177
1439.09 3.601 145
1123.66 2.812 232
746.22 1.868 115
739.01 1.850 194
731.93 1.832 183
724.00 1.812 136
723.02 1.810 136
722.29 1.808 125
720.95 1.804 128
719.24 1.800 131
718.38 1.798 120
716.80 1.794 194
714.72 1.789 150
713.50 1.786 133
712.04 1.782 197
711.30 1.780 214
709.23 1.775 169
707.40 1.771 149
706.30 1.768 183
705.81 1.767 184
704.71 1.764 179
703.74 1.761 189
703.00 1.760 168
702.39 1.758 165
700.44 1.753 182
699.10 1.750 164
698.00 1.747 96
696.78 1.744 80
695.68 1.741 93
694.46 1.738 68
693.24 1.735 91
691.89 1.732 77
658.57 1.648 59
654.54 1.638 82
653.08 1.635 87
651.49 1.631 143
650.76 1.629 142
650.39 1.628 140
647.95 1.622 205
643.43 1.610 574
640.01 1.602 212
638.55 1.598 282
636.47 1.593 1000
633.54 1.586 205
632.93 1.584 200
631.59 1.581 208
629.39 1.575 809
627.56 1.571 207
625.24 1.565 90
622.44 1.558 372
619.75 1.551 93
617.92 1.547 114
615.97 1.542 150
615.11 1.540 123
613.53 1.536 185
611.94 1.532 203
609.86 1.526 117
608.52 1.523 224
608.03 1.522 231
605.35 1.515 238
604.13 1.512 215
601.20 1.505 185
599.98 1.502 180
598.63 1.498 156
597.78 1.496 143
596.19 1.492 113
595.34 1.490 105
593.63 1.486 89
592.90 1.484 83
591.92 1.482 59
458.13 1.147 74
457.52 1.145 70
456.18 1.142 59
453.13 1.134 79
450.68 1.128 186
449.22 1.125 145
447.88 1.121 130
446.41 1.118 121
444.95 1.114 168
442.87 1.109 208
440.92 1.104 157
438.60 1.098 199
436.52 1.093 141
435.67 1.091 129
434.20 1.087 131
432.62 1.083 118
430.66 1.078 158
428.47 1.073 63
427.12 1.069 57
424.19 1.062 57
423.46 1.060 58
422.73 1.058 60
422.24 1.057 58
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| 1H NMR |
89.56 MHz |
| C7 H14 O
|
0.04 ml : 0.5 ml CDCl3
|
| cyclopentaneethanol
|
|
Assign. Shift(ppm)
A 1.12
B 1.38 to 1.79
C 1.82
D 1.76
E 3.650
|
Hz ppm Int.
333.69 3.726 529
326.94 3.651 1000
323.69 3.615 42
320.25 3.576 536
318.56 3.557 38
159.06 1.777 442
157.56 1.760 997
151.81 1.696 314
147.63 1.649 355
145.50 1.625 689
143.06 1.598 406
140.94 1.574 289
138.44 1.546 587
135.94 1.518 328
120.56 1.347 47
96.75 1.081 119