Product NameCyclohexylamine hydrochloride
CAS4998-76-9
Molecular FormulaC6H14ClN
Molecular Weight135.64
InChIInChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
InChIKey ZJUGSKJHHWASAF-UHFFFAOYSA-N
SmilesC1(N)CCCCC1.Cl
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
1H NMR | 399.65 MHz |
C6 H13 N | 0.033 g : 0.5 ml D2O |
cyclohexylamine hydrochloride |
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Assign. Shift(ppm) |
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
1H NMR | 89.56 MHz |
C6 H13 N | 0.038 g : 0.5 ml D2O |
cyclohexylamine hydrochloride |
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Assign. Shift(ppm) |
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
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
Cyclohexylamine hydrochloride(4998-76-9) MS Atlas of Related Products
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