CYCLOOCTANOL(696-71-9) MS
Product NameCYCLOOCTANOL
CAS696-71-9
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2
InChIKey FHADSMKORVFYOS-UHFFFAOYSA-N
SmilesC1(O)CCCCCCC1
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MassMS-NW-1321 cyclooctanol C8H16O (Mass of molecular ion: 128)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.5 18.0 2.4 26.0 1.1 27.0 16.5 28.0 3.4 29.0 17.4 30.0 1.2 31.0 7.8 39.0 14.8 40.0 3.2 41.0 43.6 42.0 17.5 43.0 24.1 44.0 24.3 45.0 6.9 51.0 1.3 53.0 5.5 54.0 21.3 55.0 29.2 56.0 21.5 57.0 100.0 58.0 9.8 59.0 1.2 65.0 1.0 66.0 7.4 67.0 41.6 68.0 43.6 69.0 16.0 70.0 3.0 71.0 9.9 72.0 5.0 79.0 1.6 80.0 1.6 81.0 33.3 82.0 40.1 83.0 3.7 84.0 8.7 85.0 9.0 86.0 2.6 95.0 12.7 96.0 1.2 97.0 1.6 98.0 1.5 99.0 5.0 100.0 1.9 110.0 11.3 111.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O 0.04 ml : 0.5 ml CDCl3 cyclooctanol 
Assign. Shift(ppm)
A 1.25 to 2.03 B 1.76 C 3.837
Hz ppm Int.343.56 3.837 64 157.13 1.755 368 137.00 1.530 1000
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1H NMR 399.65 MHz C8 H16 O 0.05 ml : 0.5 ml CDCl3 cyclooctanol Assign. Shift(ppm)
A 3.823 B 2.46 C *1 1.82 D *2 1.69 E *1 1.65 F 1.52 G *2 1.47
Hz ppm Int.1540.16 3.854 107 1536.25 3.844 187 1531.86 3.834 261 1527.95 3.824 383 1524.05 3.814 225 1519.65 3.803 218 1515.87 3.793 111 981.08 2.455 124 756.59 1.894 40 753.66 1.886 37 750.24 1.878 70 746.83 1.869 41 742.55 1.859 137 739.01 1.850 214 735.47 1.841 183 733.03 1.835 200 730.47 1.828 235 729.13 1.825 244 727.91 1.822 301 726.81 1.819 275 725.34 1.815 284 724.24 1.813 280 721.68 1.806 241 718.26 1.798 307 716.92 1.794 355 713.01 1.785 348 692.02 1.732 101 687.26 1.720 182 684.94 1.714 179 682.25 1.708 165 678.59 1.698 396 676.15 1.692 423 672.73 1.684 267 670.65 1.679 433 668.46 1.673 711 666.63 1.669 474 663.94 1.662 400 660.16 1.652 544 658.08 1.647 328 654.91 1.639 391 652.71 1.634 278 646.24 1.618 287 644.17 1.612 195 640.26 1.603 74 637.08 1.595 115 633.79 1.586 109 630.25 1.578 135 626.46 1.568 157 624.63 1.563 162 623.41 1.560 155 618.65 1.548 493 617.55 1.546 482 614.50 1.538 635 611.57 1.531 543 609.13 1.525 948 607.18 1.520 657 603.52 1.511 1000 600.34 1.503 595 597.90 1.497 666 596.44 1.493 662 592.53 1.483 343 588.50 1.473 460 585.57 1.466 369 583.25 1.460 338 580.57 1.453 338 578.74 1.449 328 573.97 1.437 228 570.56 1.428 152 566.89 1.419 102 563.48 1.410 65 558.96 1.399 36 552.86 1.384 35 547.24 1.370 43
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
