2-Aminocyclohexanol(6850-38-0) MS
Product Name2-Aminocyclohexanol
CAS6850-38-0
Molecular FormulaC6H13NO
Molecular Weight115.17
InChIInChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2
InChIKey PQMCFTMVQORYJC-UHFFFAOYSA-N
SmilesC1(O)CCCCC1N
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MassMS-IW-4891 2-aminocyclohexanol C6H13NO (Mass of molecular ion: 115)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.0 18.0 5.2 27.0 5.0 28.0 9.0 29.0 4.1 30.0 21.9 31.0 2.0 39.0 4.9 41.0 10.1 42.0 6.5 43.0 34.9 44.0 7.0 45.0 2.8 53.0 1.5 54.0 2.7 55.0 3.1 56.0 100.0 57.0 9.0 59.0 6.3 67.0 2.4 68.0 2.3 69.0 5.1 70.0 9.1 72.0 18.2 73.0 2.0 79.0 1.9 80.0 1.1 82.0 2.1 86.0 4.5 96.0 1.5 97.0 1.4 98.0 2.0 114.0 1.2 115.0 36.8 116.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 N O 0.040 g : 0.5 ml CDCl3 2-aminocyclohexanol 
Assign. Shift(ppm)
A 3.126 B 2.52 C 2.450 D 1.947 E 1.847 F 1.72 G 1.66 J 1.30 to 1.23 K 1.116 ASSIGNED BY H-H AND C-H COSY. J(A,C)=9.3HZ J(A,D)=4.6HZ J(C,K)=10.9HZ J(C,E)=4.2HZ
Hz ppm Int.1261.60 3.157 129 1256.96 3.146 138 1252.32 3.134 266 1247.07 3.121 226 1242.31 3.109 178 1237.79 3.098 128 1006.47 2.519 212 990.72 2.479 248 986.69 2.469 240 979.37 2.451 279 977.78 2.447 272 970.46 2.429 189 966.43 2.419 170 958.37 2.399 40 957.89 2.397 38 956.67 2.394 36 955.08 2.390 33 954.59 2.389 32 953.61 2.387 31 787.60 1.971 115 785.77 1.967 122 782.59 1.959 226 781.37 1.956 256 778.32 1.948 241 776.73 1.944 207 775.27 1.940 178 773.32 1.935 216 772.22 1.933 197 768.92 1.924 127 747.44 1.871 159 745.24 1.865 225 744.51 1.863 224 741.46 1.856 180 738.28 1.848 109 737.92 1.847 108 735.11 1.840 182 731.93 1.832 248 730.83 1.829 236 728.76 1.824 175 701.78 1.756 31 701.17 1.755 31 693.48 1.736 122 688.35 1.723 258 684.81 1.714 295 682.74 1.709 297 675.17 1.690 131 671.02 1.680 195 669.56 1.676 211 666.63 1.669 225 665.53 1.666 229 662.23 1.658 220 657.47 1.646 178 532.71 1.333 35 529.66 1.326 30 526.86 1.319 30 525.15 1.315 45 520.26 1.302 117 517.09 1.294 129 514.04 1.287 238 510.25 1.277 591 502.56 1.258 1000 495.97 1.242 277 495.00 1.239 297 492.43 1.233 297 490.48 1.228 254 486.21 1.217 86 485.84 1.216 86 483.64 1.211 54 482.18 1.207 60 479.86 1.201 73 478.39 1.198 77 464.11 1.162 103 460.82 1.154 100 459.23 1.150 73 457.52 1.145 56 452.64 1.133 171 451.54 1.130 186 449.58 1.125 161 448.00 1.121 184 440.19 1.102 184 436.52 1.093 159 431.76 1.081 52 430.30 1.077 56 427.49 1.070 66 423.95 1.061 54
in CDCl3
KBr disc
nujol mull
