氯代环己烷(542-18-7)Raman光谱
InChI:InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
Smiles:C1(Cl)CCCCC1
-
Mass
MS-NW-1285
chlorocyclohexane
C6H11Cl (Mass of molecular ion: 118)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.1
26.0 2.0
27.0 15.7
28.0 4.6
29.0 6.6
32.0 1.0
38.0 1.6
39.0 19.1
40.0 4.0
41.0 43.7
42.0 6.3
43.0 3.5
49.0 1.3
50.0 1.9
51.0 3.3
52.0 1.5
53.0 7.8
54.0 33.5
55.0 41.6
56.0 9.8
62.0 2.5
65.0 1.4
66.0 1.5
67.0 100.0
68.0 6.1
69.0 5.0
75.0 2.6
77.0 1.7
79.0 2.5
81.0 9.1
82.0 71.1
83.0 29.3
84.0 1.7
118.0 2.0
90 MHz in CDCl3
400 MHz in CDCl3
-
| 1H NMR |
89.56 MHz |
| C6 H11 Cl
|
0.04 ml : 0.5 ml CDCl3
|
| chlorocyclohexane
|
 |
Assign. Shift(ppm)
A 4.01
B 2.29 to 1.12
|
Hz ppm Int.
373.19 4.167 42
371.19 4.145 144
370.56 4.138 108
369.25 4.123 84
367.50 4.104 239
365.50 4.082 134
364.81 4.074 145
363.19 4.056 274
362.25 4.045 316
361.00 4.031 190
358.56 4.004 478
354.81 3.962 351
351.56 3.926 134
349.75 3.906 229
347.44 3.880 80
346.75 3.872 116
346.00 3.864 137
205.44 2.294 48
204.44 2.283 45
204.06 2.279 54
203.38 2.271 56
202.00 2.256 76
200.94 2.244 95
200.44 2.239 98
199.88 2.232 107
199.50 2.228 109
199.13 2.224 106
197.69 2.208 130
196.06 2.190 204
194.81 2.176 243
192.63 2.151 365
191.31 2.137 441
186.25 2.080 524
184.25 2.058 469
182.69 2.040 478
181.50 2.027 516
179.38 2.003 787
176.00 1.966 477
175.63 1.962 496
175.31 1.958 496
174.50 1.949 468
172.31 1.924 328
171.94 1.920 333
171.19 1.912 324
169.69 1.895 339
169.06 1.888 367
167.06 1.866 500
164.06 1.832 775
162.81 1.818 722
160.44 1.792 776
159.94 1.786 763
158.88 1.775 714
155.31 1.735 852
152.81 1.707 793
151.50 1.692 720
150.50 1.681 655
149.06 1.665 614
146.75 1.639 740
145.31 1.623 677
143.94 1.608 792
143.31 1.601 821
142.50 1.592 724
141.56 1.581 706
140.75 1.572 752
139.25 1.555 559
138.94 1.552 556
138.13 1.543 593
137.06 1.531 553
136.69 1.527 552
133.88 1.495 721
132.63 1.481 802
130.94 1.463 796
128.31 1.433 1000
125.69 1.404 777
124.50 1.391 752
123.25 1.377 672
120.56 1.347 915
118.75 1.326 848
117.06 1.308 628
115.63 1.292 524
113.88 1.272 481
111.81 1.249 408
111.50 1.245 415
109.81 1.227 284
108.00 1.206 227
105.06 1.174 142
104.06 1.162 117
102.75 1.148 90
100.94 1.128 72
100.63 1.124 79
99.75 1.114 61
99.13 1.107 54
98.44 1.100 43
97.75 1.092 50
97.19 1.086 57
96.88 1.082 50
96.50 1.078 43
-
| 1H NMR |
399.65 MHz |
| C6 H11 Cl
|
0.05 ml : 0.5 ml CDCl3
|
| chlorocyclohexane
|
|
Assign. Shift(ppm)
A 4.003
B 2.062
C 1.80
D 1.660
E 1.54
F 1.36
G 1.30
ASSIGNED BY H-H COSY.
J(A,B)=4.0HZ
J(A,D)=9.6HZ
J(C,D)=3.6HZ
|
Hz ppm Int.
1613.40 4.038 158
1609.50 4.028 291
1604.00 4.014 342
1600.10 4.004 545
1596.19 3.994 345
1590.70 3.981 286
1586.91 3.971 159
833.74 2.087 520
830.44 2.078 563
825.32 2.066 503
824.46 2.063 504
820.43 2.053 608
819.34 2.051 636
816.28 2.043 614
738.16 1.848 34
733.03 1.835 192
729.00 1.825 340
726.56 1.818 422
724.49 1.813 455
723.51 1.811 442
720.21 1.803 583
714.72 1.789 728
710.08 1.777 652
706.42 1.768 324
704.96 1.764 297
700.20 1.753 81
697.02 1.745 81
693.73 1.736 60
691.53 1.731 54
688.11 1.722 49
685.30 1.715 66
681.40 1.705 264
677.61 1.696 298
671.39 1.680 515
668.09 1.672 725
664.79 1.664 435
661.87 1.657 388
658.57 1.648 675
655.03 1.640 563
648.93 1.624 251
645.39 1.615 298
639.28 1.600 43
639.04 1.599 43
635.25 1.590 48
632.57 1.583 40
629.15 1.575 64
619.87 1.552 326
617.31 1.545 386
611.57 1.531 352
609.25 1.525 252
607.67 1.521 261
606.45 1.518 239
603.15 1.510 203
599.98 1.502 137
596.31 1.493 48
562.74 1.409 209
559.45 1.400 234
552.49 1.383 491
549.07 1.374 679
545.53 1.366 405
542.11 1.357 456
539.06 1.349 908
536.01 1.342 1000
531.74 1.331 633
530.52 1.328 627
528.56 1.323 571
527.22 1.320 626
525.51 1.315 613
517.70 1.296 137
515.26 1.290 220
512.21 1.282 140
505.25 1.265 72
502.08 1.257 51