正丙基環(huán)己烷(1678-92-8)紅外圖譜(IR1)
InChI:InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey: DEDZSLCZHWTGOR-UHFFFAOYSA-N
Smiles:C1(CCC)CCCCC1
-
Mass
MS-NW-3500
propylcyclohexane
C9H18 (Mass of molecular ion: 126)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 9.8
28.0 1.6
29.0 8.4
39.0 11.3
40.0 1.9
41.0 30.7
42.0 6.2
43.0 6.9
51.0 1.3
53.0 4.2
54.0 6.8
55.0 56.0
56.0 9.9
57.0 2.4
65.0 1.0
67.0 12.8
68.0 3.2
69.0 8.7
70.0 4.7
81.0 2.2
82.0 47.2
83.0 100.0
84.0 7.7
97.0 2.5
98.0 1.0
126.0 14.4
127.0 1.4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H18
|
0.05 ml : 0.5 ml CDCl3
|
| propylcyclohexane
|
 |
Assign. Shift(ppm)
A 1.77 to 1.580
B 1.31
C 1.22
D 1.18 to 1.100
E 0.871
F 0.86
|
Hz ppm Int.
682.01 1.707 164
680.91 1.704 178
677.98 1.697 170
674.68 1.689 137
673.58 1.686 134
670.53 1.678 200
668.09 1.672 216
666.38 1.668 171
664.79 1.664 165
663.09 1.660 143
661.87 1.657 127
659.30 1.650 92
656.37 1.643 52
654.66 1.639 45
653.81 1.636 45
652.83 1.634 42
650.88 1.629 51
649.05 1.625 57
647.58 1.621 53
646.12 1.617 40
645.39 1.615 38
644.41 1.613 36
540.41 1.353 30
539.18 1.350 31
532.84 1.334 87
531.86 1.331 91
530.03 1.327 32
529.30 1.325 35
528.93 1.324 35
525.51 1.315 140
524.54 1.313 179
521.97 1.307 65
517.21 1.295 210
515.14 1.289 65
514.65 1.288 63
510.01 1.277 153
509.28 1.275 108
507.93 1.271 47
506.84 1.269 43
503.17 1.260 78
501.95 1.256 68
498.41 1.248 43
495.48 1.240 86
493.90 1.236 85
493.04 1.234 90
491.46 1.230 115
488.28 1.222 97
485.35 1.215 81
484.86 1.214 81
481.93 1.206 134
480.10 1.202 142
479.25 1.200 140
478.76 1.198 139
477.78 1.196 145
475.46 1.190 97
470.09 1.177 151
468.14 1.172 257
467.04 1.169 314
464.84 1.164 86
462.89 1.159 165
460.82 1.154 155
459.59 1.150 251
458.37 1.147 196
456.30 1.142 131
454.10 1.137 95
452.15 1.132 205
449.46 1.125 43
446.53 1.118 99
444.82 1.114 84
443.73 1.111 38
359.99 0.901 77
355.22 0.889 555
347.78 0.871 1000
345.58 0.865 165
342.53 0.858 77
340.58 0.853 485
335.08 0.839 112
324.95 0.814 34
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| 1H NMR |
89.56 MHz |
| C9 H18
|
0.04 ml : 0.5 ml CDCl3
|
| propylcyclohexane
|
|
Assign. Shift(ppm)
A 1.84 to 1.53
B 1.53 to 0.60
C 0.87
|
Hz ppm Int.
156.56 1.749 231
153.94 1.719 244
147.81 1.651 382
146.38 1.635 371
137.88 1.540 61
137.38 1.534 59
134.94 1.507 60
133.75 1.494 58
133.19 1.488 59
132.81 1.483 59
130.38 1.456 59
130.06 1.453 58
128.00 1.430 82
126.38 1.412 68
126.06 1.408 68
122.06 1.363 128
120.56 1.347 137
119.88 1.339 135
116.63 1.303 181
115.13 1.286 229
113.44 1.267 198
105.50 1.178 606
101.19 1.130 308
99.31 1.109 282
97.13 1.085 257
92.31 1.031 147
90.81 1.014 139
89.44 0.999 129
84.13 0.940 346
83.38 0.931 401
80.38 0.898 187
80.06 0.894 188
77.88 0.870 1000
71.50 0.799 242
70.50 0.788 258
65.69 0.734 57
65.25 0.729 56