TRANS-2-PHENYL-1-CYCLOHEXANOL(2362-61-0) IR2
Product NameTRANS-2-PHENYL-1-CYCLOHEXANOL
CAS2362-61-0
Molecular FormulaC12H16O
Molecular Weight176.26
InChIInChI=1/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/s3
InChIKey AAIBYZBZXNWTPP-NXSMWGEINA-N
Smiles[C@@H]1(O)CCCC[C@H]1C1=CC=CC=C1 |&1:0,6,r|
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MassMS-NW-8911 trans-2-phenyl-1-cyclohexanol C12H16O (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.6 27.0 5.3 28.0 1.6 29.0 5.6 31.0 1.6 39.0 7.3 41.0 10.2 42.0 1.2 43.0 4.5 44.0 3.0 50.0 1.2 51.0 6.1 52.0 1.9 53.0 2.5 55.0 5.1 57.0 21.3 58.0 1.2 63.0 2.8 64.0 1.3 65.0 8.5 66.0 3.4 67.0 9.8 68.0 1.0 69.0 1.2 70.0 3.0 71.0 10.4 76.0 1.2 77.0 12.9 78.0 13.2 79.0 7.9 80.0 4.0 83.0 1.7 84.0 3.1 85.0 10.5 89.0 2.8 90.0 1.2 91.0 100.0 92.0 44.7 93.0 3.6 98.0 18.6 99.0 1.3 102.0 2.1 103.0 9.6 104.0 44.0 105.0 18.6 106.0 2.1 107.0 1.7 115.0 14.2 116.0 4.4 117.0 40.5 118.0 5.5 119.0 1.4 120.0 3.5 127.0 1.5 128.0 4.8 129.0 23.8 130.0 42.2 131.0 7.5 132.0 13.0 133.0 7.9 134.0 1.1 143.0 11.5 144.0 1.5 145.0 1.3 148.0 1.0 157.0 1.9 158.0 12.8 159.0 1.9 176.0 60.7 177.0 8.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H16 O 0.05 g : 0.5 ml CDCl3 trans-2-phenyl-1-cyclohexanol 
Assign. Shift(ppm)
A 7.284 B 7.21 C 7.19 D 3.582 E 2.377 F 2.060 G 1.82 K 1.72 L 1.49 M 1.38 N 1.35 P 1.28
Hz ppm Int.2919.80 7.306 234 2918.95 7.304 340 2917.48 7.301 148 2912.35 7.288 627 2911.50 7.286 723 2906.13 7.272 278 2904.30 7.268 730 2885.62 7.221 633 2884.03 7.217 1000 2881.96 7.212 303 2880.00 7.207 426 2878.91 7.204 483 2878.05 7.202 501 2877.20 7.200 663 2875.98 7.197 504 2873.66 7.191 298 2871.58 7.186 479 2869.38 7.180 154 2865.84 7.171 149 2864.38 7.168 214 2863.04 7.164 116 1444.09 3.614 108 1439.70 3.603 103 1433.84 3.588 236 1429.69 3.578 192 1423.83 3.563 145 1419.56 3.553 100 963.01 2.410 122 959.47 2.401 130 953.00 2.385 135 950.68 2.379 207 947.27 2.371 157 940.80 2.355 137 937.26 2.346 136 830.57 2.079 132 828.37 2.073 198 826.54 2.069 126 823.61 2.061 117 822.51 2.059 106 819.21 2.050 154 816.28 2.043 125 814.82 2.039 90 735.96 1.842 236 734.62 1.839 227 732.67 1.834 241 729.37 1.826 168 723.02 1.810 363 720.83 1.804 362 708.74 1.774 40 705.93 1.767 40 695.92 1.742 252 691.77 1.731 394 688.48 1.723 234 684.94 1.714 210 682.01 1.707 156 610.23 1.527 81 606.57 1.518 56 597.66 1.496 186 594.12 1.487 155 584.11 1.462 179 581.79 1.456 138 575.56 1.441 52 571.66 1.431 96 568.12 1.422 70 565.80 1.416 94 562.74 1.409 115 559.81 1.401 60 552.86 1.384 173 550.42 1.378 262 546.88 1.369 167 544.07 1.362 124 539.67 1.351 453 536.38 1.343 172 533.33 1.335 128 531.01 1.329 154 527.95 1.322 199 524.05 1.312 190 520.51 1.303 147 514.89 1.289 94 511.11 1.279 127 507.69 1.271 94 498.54 1.248 40
in CDCl3
KBr disc
nujol mull
