鹽酸環(huán)己胺(4998-76-9)核磁圖(1HNMR)
InChI:InChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
InChIKey: ZJUGSKJHHWASAF-UHFFFAOYSA-N
Smiles:C1(N)CCCCC1.Cl
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Mass
MS-NW-9319
cyclohexylamine hydrochloride
C6H13N HCl (Mass of molecular ion: 99)
Source Temperature: 190 °C
Sample Temperature: 150 °C
Direct, 75 eV
18.0 3.1
27.0 2.1
28.0 5.2
29.0 2.1
30.0 6.5
35.0 1.6
36.0 22.1
38.0 7.3
39.0 2.3
41.0 3.0
42.0 3.2
43.0 15.4
44.0 1.1
53.0 1.1
54.0 1.6
55.0 1.9
56.0 100.0
57.0 5.6
67.0 1.9
70.0 12.5
81.0 1.3
82.0 1.0
98.0 1.7
99.0 17.8
100.0 2.3
400 MHz in D2O
90 MHz in D2O
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| 1H NMR |
399.65 MHz |
| C6 H13 N
|
0.033 g : 0.5 ml D2O
|
| cyclohexylamine hydrochloride
|
 |
Assign. Shift(ppm)
B 3.164
C 1.99
D 1.80
E 1.653
F 1.41 to 1.28
G 1.183
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
1275.27 3.191 129
1274.78 3.190 130
1274.17 3.189 126
1273.44 3.187 124
1271.12 3.181 161
1270.63 3.180 164
1268.68 3.175 185
1266.60 3.170 159
1264.65 3.165 265
1260.50 3.155 226
1255.49 3.142 111
1255.00 3.141 113
1253.78 3.138 141
1250.61 3.130 80
1249.76 3.128 91
800.78 2.004 398
795.78 1.992 505
792.60 1.984 599
783.08 1.960 65
780.27 1.953 65
727.05 1.820 419
723.88 1.812 535
719.24 1.800 418
718.75 1.799 415
715.94 1.792 370
715.70 1.791 370
714.60 1.789 373
671.39 1.680 153
669.56 1.676 196
668.21 1.672 230
666.75 1.669 234
665.04 1.665 189
663.82 1.662 163
661.74 1.656 124
661.38 1.655 123
656.25 1.643 231
655.27 1.640 256
654.54 1.638 250
654.05 1.637 254
653.32 1.635 243
563.11 1.410 126
561.77 1.406 103
561.04 1.404 96
559.45 1.400 86
559.20 1.400 86
557.74 1.396 74
556.88 1.394 68
550.29 1.377 450
549.56 1.376 446
548.34 1.373 460
545.78 1.366 404
545.04 1.364 415
538.82 1.349 1000
534.67 1.338 736
529.54 1.326 419
527.22 1.320 354
525.63 1.316 421
522.95 1.309 325
517.46 1.295 71
516.85 1.294 70
516.11 1.292 74
515.75 1.291 73
513.18 1.285 134
511.47 1.280 106
510.38 1.278 118
492.07 1.232 71
491.09 1.229 74
488.65 1.223 106
488.16 1.222 103
487.79 1.221 101
485.72 1.216 100
484.86 1.214 95
484.38 1.213 95
483.64 1.211 100
483.03 1.209 105
482.67 1.208 105
482.06 1.207 104
479.86 1.201 155
479.61 1.201 155
478.88 1.199 149
476.44 1.193 200
473.02 1.184 161
470.21 1.177 138
469.73 1.176 136
467.41 1.170 160
466.06 1.167 143
465.45 1.165 144
463.75 1.161 164
461.18 1.154 105
460.33 1.152 106
458.37 1.147 74
458.01 1.147 70
457.64 1.146 69
457.28 1.145 68
456.91 1.144 69
456.54 1.143 69
455.44 1.140 68
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| 1H NMR |
89.56 MHz |
| C6 H13 N
|
0.038 g : 0.5 ml D2O
|
| cyclohexylamine hydrochloride
|
|
Assign. Shift(ppm)
B 3.15
C 1.98
D 1.79
E 1.65
F 1.52 to 1.080
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
285.44 3.188 147
284.00 3.172 188
281.50 3.144 149
280.19 3.129 176
279.63 3.123 170
176.75 1.974 525
159.63 1.783 523
130.69 1.460 494
119.69 1.337 1000