環(huán)己胺(108-91-8)核磁圖(1HNMR)
InChI:InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-N
Smiles:C1(N)CCCCC1
-
Mass
MS-NW-3731
cyclohexylamine
C6H13N (Mass of molecular ion: 99)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.0
18.0 1.2
27.0 3.6
28.0 6.2
29.0 2.5
30.0 8.3
39.0 3.4
41.0 3.5
42.0 4.1
43.0 21.8
44.0 1.2
53.0 1.2
54.0 1.6
55.0 1.9
56.0 100.0
57.0 5.0
67.0 1.4
70.0 6.1
98.0 1.4
99.0 11.4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H13 N
|
0.04 ml : 0.5 ml CDCl3
|
| cyclohexylamine
|
 |
Assign. Shift(ppm)
A 2.615
B 1.813
C 1.710
D 1.596
E 1.260
F 1.15
G 1.13
J 1.04
J(A,J)=10.5HZ. J(A,B)=3.9HZ.
|
Hz ppm Int.
1059.57 2.652 250
1055.66 2.642 482
1051.76 2.632 293
1049.07 2.625 496
1045.17 2.616 925
1041.26 2.606 518
1038.45 2.599 281
1034.67 2.589 490
1030.76 2.580 265
735.60 1.841 354
733.03 1.835 603
731.81 1.832 719
730.35 1.828 684
729.25 1.825 709
728.03 1.822 695
726.81 1.819 513
725.34 1.815 469
724.12 1.812 473
722.90 1.809 454
720.21 1.803 646
719.24 1.800 708
718.02 1.797 678
716.43 1.793 715
712.65 1.784 347
697.51 1.746 216
696.66 1.744 223
696.17 1.742 228
693.73 1.736 567
690.06 1.727 746
686.40 1.718 562
685.55 1.716 534
682.74 1.709 399
680.30 1.703 604
676.64 1.694 841
673.22 1.685 577
650.39 1.628 174
648.68 1.624 265
647.22 1.620 378
645.39 1.615 357
643.80 1.611 496
642.33 1.608 327
640.38 1.603 346
638.92 1.599 255
638.31 1.598 243
636.23 1.592 286
634.89 1.589 389
632.69 1.584 333
631.23 1.580 480
630.00 1.577 292
629.64 1.576 296
629.03 1.574 273
627.56 1.571 339
626.22 1.567 211
527.47 1.320 242
523.93 1.311 346
520.51 1.303 205
519.65 1.301 166
515.14 1.289 565
514.28 1.287 463
511.72 1.281 908
510.86 1.279 643
509.16 1.275 388
508.30 1.272 488
507.32 1.270 351
502.81 1.259 545
501.95 1.256 629
499.27 1.250 939
498.54 1.248 922
495.97 1.242 552
489.38 1.225 365
486.21 1.217 609
483.03 1.209 401
468.14 1.172 681
464.97 1.164 1000
461.67 1.156 808
457.40 1.145 512
456.05 1.142 708
452.76 1.133 925
449.10 1.124 478
444.09 1.112 347
440.31 1.102 622
437.01 1.094 349
434.20 1.087 500
431.52 1.080 438
430.66 1.078 453
428.10 1.072 314
422.85 1.059 648
421.63 1.055 757
421.02 1.054 789
419.07 1.049 689
418.33 1.047 697
411.13 1.029 648
410.52 1.028 657
408.45 1.023 647
407.84 1.021 659
398.93 0.999 244
398.19 0.997 229
395.39 0.990 274
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| 1H NMR |
89.56 MHz |
| C6 H13 N
|
0.04 ml : 0.5 ml CDCl3
|
| cyclohexylamine
|
|
Assign. Shift(ppm)
A 2.62
B 1.97 to 1.44
C 1.44 to 0.72
D 1.18
|
Hz ppm Int.
235.38 2.629 30
168.06 1.877 50
165.88 1.853 47
165.13 1.844 44
164.19 1.834 49
163.19 1.823 51
162.44 1.814 54
160.31 1.790 58
159.88 1.786 58
157.63 1.761 80
156.50 1.748 82
154.69 1.728 82
153.44 1.714 75
151.94 1.697 68
149.75 1.673 89
148.75 1.661 72
148.19 1.655 68
146.44 1.636 65
144.69 1.616 52
143.31 1.601 42
141.63 1.582 37
118.56 1.324 34
113.63 1.269 39
111.31 1.243 72
108.19 1.209 57
105.31 1.176 1000
97.19 1.086 80
95.63 1.068 59
95.44 1.066 59
92.19 1.030 41