5-CYCLOHEXYL-1-PENTANOL(7338-43-4) 13C NMR
Product Name5-CYCLOHEXYL-1-PENTANOL
CAS7338-43-4
Molecular FormulaC11H22O
Molecular Weight170.29
InChIInChI=1S/C11H22O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3
InChIKey PKXSPCMDZCKLCI-UHFFFAOYSA-N
SmilesC1(CCCCC1)C(O)CCCC
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MassMS-KW-0227 1-cyclohexyl-1-pentanol C11H22O (Mass of molecular ion: 170)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.1 18.0 4.8 27.0 7.8 28.0 1.9 29.0 10.9 31.0 3.7 39.0 7.4 40.0 1.5 41.0 41.9 42.0 4.2 43.0 11.2 44.0 4.7 45.0 7.5 51.0 1.2 53.0 4.8 54.0 7.8 55.0 33.9 56.0 6.1 57.0 16.2 58.0 3.6 65.0 1.8 66.0 1.7 67.0 41.5 68.0 9.3 69.0 100.0 70.0 6.6 71.0 4.6 77.0 2.4 79.0 4.8 80.0 2.7 81.0 28.9 82.0 26.6 83.0 14.8 84.0 2.8 85.0 2.8 86.0 19.3 87.0 49.2 88.0 2.9 91.0 1.7 93.0 2.6 94.0 1.7 95.0 94.7 96.0 23.9 97.0 4.0 109.0 12.6 110.0 2.8 111.0 1.6 112.0 2.5 113.0 31.4 114.0 2.6 152.0 8.9 153.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C11H22O 0.05 ml : 0.5 ml CDCl3 1-cyclohexyl-1-pentanol 
Assign. Shift(ppm)
A 3.34 B 1.78 C 1.66 D 1.46 E 1.30 F 1.07 G 0.910 assigned by C-H COSY
Hz ppm Int.727.54 1.820 114 714.24 1.787 232 707.40 1.770 172 698.25 1.747 187 671.15 1.679 156 663.70 1.661 179 656.01 1.641 171 597.78 1.496 118 594.37 1.487 120 588.75 1.473 203 586.19 1.467 215 580.82 1.453 126 574.96 1.439 95 570.68 1.428 120 565.92 1.416 100 557.38 1.395 119 554.69 1.388 148 546.03 1.366 267 539.07 1.349 242 531.25 1.329 258 527.35 1.320 271 524.30 1.312 316 522.22 1.307 290 519.29 1.299 276 515.63 1.290 239 510.50 1.277 195 505.86 1.266 144 502.45 1.257 159 498.30 1.247 103 493.05 1.234 152 489.75 1.226 169 485.48 1.215 134 482.43 1.207 154 470.71 1.178 162 459.60 1.150 144 456.43 1.142 91 447.27 1.119 125 445.20 1.114 112 436.28 1.092 129 432.99 1.084 154 424.20 1.062 112 420.78 1.053 169 417.49 1.045 79 408.21 1.022 139 405.03 1.014 134 396.12 0.991 93 393.19 0.984 113 384.04 0.961 43 370.61 0.928 502 367.31 0.919 242 363.65 0.910 1000 359.99 0.901 193 356.33 0.892 488
in CDCl3
Liquid film
