3-CYCLOHEXYL-1-PROPANOL(1124-63-6) MS
Product Name3-CYCLOHEXYL-1-PROPANOL
CAS1124-63-6
Molecular FormulaC9H18O
Molecular Weight142.24
InChIInChI=1S/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2
InChIKey CLYAQFSQLQTVNO-UHFFFAOYSA-N
SmilesC1(CCCO)CCCCC1
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MassMS-NW-9680 3-cyclohexyl-1-propanol C9H18O (Mass of molecular ion: 142)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 6.7 28.0 2.2 29.0 9.4 31.0 6.2 39.0 10.5 40.0 1.9 41.0 43.3 42.0 16.8 43.0 7.8 44.0 1.6 45.0 1.0 51.0 1.1 53.0 6.5 54.0 20.4 55.0 95.8 56.0 7.5 57.0 4.6 60.0 1.3 65.0 1.8 66.0 5.2 67.0 69.3 68.0 21.9 69.0 10.9 70.0 1.4 71.0 1.5 77.0 1.9 79.0 6.3 80.0 3.2 81.0 92.6 82.0 98.4 83.0 55.1 84.0 3.5 93.0 1.2 94.0 1.3 95.0 18.2 96.0 100.0 97.0 8.4 109.0 3.5 123.0 1.0 124.0 9.2 125.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H18 O 0.05 ml : 0.5 ml CDCl3 3-cyclohexyl-1-propanol 
Assign. Shift(ppm)
A 3.568 B 3.08 C 1.75 to 1.60 D 1.552 E 1.21 F 1.20 G 1.15 J 0.878
Hz ppm Int.1433.11 3.586 319 1426.39 3.570 625 1419.68 3.553 358 1232.67 3.085 440 689.21 1.725 408 684.94 1.714 393 678.10 1.697 731 675.54 1.691 588 671.75 1.681 435 668.46 1.673 452 666.26 1.668 416 658.81 1.649 169 657.10 1.645 144 656.37 1.643 142 654.42 1.638 155 653.20 1.635 170 651.37 1.630 192 650.02 1.627 179 648.32 1.623 143 646.97 1.619 136 635.25 1.590 169 628.30 1.573 392 625.61 1.566 226 624.27 1.563 211 621.46 1.556 429 619.63 1.551 455 612.79 1.534 510 606.08 1.517 212 509.40 1.275 68 505.25 1.265 106 501.95 1.256 81 501.34 1.255 80 496.22 1.242 296 492.55 1.233 528 489.75 1.226 735 483.64 1.211 1000 481.32 1.205 760 480.35 1.202 756 477.54 1.195 903 475.10 1.189 457 470.09 1.177 509 468.51 1.173 626 462.28 1.157 194 459.72 1.151 273 457.03 1.144 189 453.00 1.134 46 450.20 1.127 85 447.39 1.120 176 444.46 1.113 104 438.23 1.097 36 435.06 1.089 65 431.88 1.081 40 368.90 0.924 113 366.09 0.917 155 354.25 0.887 294 344.12 0.862 271 337.40 0.845 95 335.21 0.839 100 330.57 0.828 71
in CDCl3
liquid film
