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1-CYCLOHEXYL-1-BUTANOL(4352-42-5) MS
Product Name1-CYCLOHEXYL-1-BUTANOL
CAS4352-42-5
Molecular FormulaC10H20O
Molecular Weight156.27
InChIInChI=1S/C10H20O/c1-2-6-10(11)9-7-4-3-5-8-9/h9-11H,2-8H2,1H3
InChIKey MTUCYAOJXPTLHZ-UHFFFAOYSA-N
SmilesC1(CCCCC1)C(O)CCC
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MassMS-KW-0270 1-cyclohexyl-1-butanol C10H20O (Mass of molecular ion: 156)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.5 27.0 9.7 28.0 2.1 29.0 10.3 31.0 6.8 39.0 9.1 40.0 1.5 41.0 28.9 42.0 3.4 43.0 21.6 44.0 3.5 45.0 2.8 51.0 1.2 53.0 5.3 54.0 7.5 55.0 100.0 56.0 10.2 57.0 11.3 65.0 1.6 66.0 1.2 67.0 35.9 68.0 6.3 69.0 9.0 70.0 1.7 71.0 1.4 72.0 21.9 73.0 59.6 74.0 2.8 77.0 2.1 79.0 4.0 80.0 1.7 81.0 18.6 82.0 21.7 83.0 9.7 84.0 2.4 91.0 1.7 93.0 2.3 94.0 1.1 95.0 85.4 96.0 14.5 97.0 1.3 109.0 9.4 110.0 1.2 112.0 1.8 113.0 28.3 114.0 2.2 138.0 6.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10H20O 0.05 ml : 0.5 ml CDCl3 1-cyclohexyl-1-butanol 
Assign. Shift(ppm)
A 3.35 B *1 1.77 C *1 1.65 D 1.58 E *2 1.48 F *3 1.38 G *2 1.35 J *3 1.34 K 1.31 L 1.15 M 1.05 N 0.926 assigned by C-H COSY
Hz ppm Int.1341.07 3.355 118 726.93 1.819 100 710.82 1.779 198 707.16 1.769 147 698.13 1.747 166 694.83 1.739 147 666.39 1.667 145 655.89 1.641 139 632.21 1.582 281 614.51 1.538 57 607.43 1.520 84 604.62 1.513 86 601.45 1.505 83 597.54 1.495 102 595.83 1.491 86 590.58 1.478 157 587.04 1.469 117 582.40 1.457 117 578.98 1.449 127 577.40 1.445 158 574.10 1.437 126 571.17 1.429 75 561.77 1.406 78 557.26 1.394 144 553.35 1.385 147 548.71 1.373 136 545.66 1.365 144 539.43 1.350 178 536.38 1.342 126 534.55 1.338 123 529.79 1.326 110 527.96 1.321 143 525.03 1.314 152 522.95 1.309 142 519.78 1.301 123 516.61 1.293 126 513.43 1.285 102 511.24 1.279 108 508.06 1.271 104 505.01 1.264 121 501.84 1.256 116 497.93 1.246 92 492.31 1.232 132 489.14 1.224 148 485.11 1.214 127 481.94 1.206 139 479.74 1.200 116 476.69 1.193 105 469.98 1.176 145 462.41 1.157 78 459.48 1.150 133 456.30 1.142 91 447.15 1.119 128 444.59 1.113 111 435.55 1.090 123 432.38 1.082 146 423.59 1.060 106 420.29 1.052 154 417.12 1.044 79 407.84 1.021 130 404.79 1.013 129 395.76 0.990 93 392.95 0.983 111 383.92 0.961 78 377.20 0.944 491 370.24 0.927 1000 363.29 0.909 456
in CDCl3
