trans-1,4-Diaminocyclohexane(2615-25-0) MS
Product Nametrans-1,4-Diaminocyclohexane
CAS2615-25-0
Molecular FormulaC6H14N2
Molecular Weight114.19
InChIInChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2/t5-,6-
InChIKey VKIRRGRTJUUZHS-IZLXSQMJSA-N
Smiles[C@@H]1(N)CC[C@@H](N)CC1
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MassMS-IW-8185 trans-1,4-cyclohexanediamine C6H14N2 (Mass of molecular ion: 114)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 5.6 27.0 1.8 28.0 7.2 29.0 1.7 30.0 7.2 39.0 2.0 41.0 10.0 42.0 8.1 43.0 46.0 44.0 9.4 53.0 1.1 54.0 2.7 55.0 2.0 56.0 23.4 57.0 21.0 58.0 100.0 59.0 4.9 67.0 1.5 68.0 9.5 69.0 6.5 70.0 2.1 71.0 1.7 77.0 2.3 79.0 3.7 80.0 1.9 81.0 2.9 82.0 9.0 84.0 1.1 85.0 2.2 96.0 10.5 97.0 29.0 98.0 5.6 115.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H14 N2 0.036 g : 0.5 ml DMSO-d6 trans-1,4-cyclohexanediamine 
Assign. Shift(ppm)
A 2.432 B 1.9 C 1.67 D 0.99
Hz ppm Int.983.64 2.462 118 980.71 2.454 176 980.22 2.453 175 977.17 2.446 237 973.51 2.436 329 970.09 2.428 388 966.67 2.419 338 963.01 2.410 263 959.72 2.402 196 956.67 2.394 136 683.59 1.711 139 682.37 1.708 141 677.00 1.694 210 673.71 1.686 620 670.29 1.678 935 664.31 1.663 1000 662.60 1.658 746 660.89 1.654 680 657.35 1.645 233 652.10 1.632 169 651.37 1.630 168 416.02 1.041 140 404.66 1.013 760 401.61 1.005 447 395.63 0.990 960 394.17 0.987 988 388.31 0.972 436 385.01 0.964 684 373.66 0.935 121
in DMSO-d6
KBr disc
nujol mull
