ETHYL CYCLOHEXYLACETATE(5452-75-5) MS
Product NameETHYL CYCLOHEXYLACETATE
CAS5452-75-5
Molecular FormulaC10H18O2
Molecular Weight170.25
InChIInChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKey ZBDAMDWKXGTKBT-UHFFFAOYSA-N
SmilesC1(CC(OCC)=O)CCCCC1
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MassMS-NW-8981 ethyl cyclohexylacetate C10H18O2 (Mass of molecular ion: 170)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.4 28.0 1.4 29.0 7.7 39.0 4.6 41.0 11.3 42.0 2.2 43.0 3.5 45.0 5.2 53.0 3.0 54.0 4.2 55.0 22.6 56.0 1.6 60.0 29.5 61.0 26.3 67.0 6.8 68.0 1.7 69.0 1.4 70.0 19.9 71.0 1.2 73.0 2.2 79.0 2.0 80.0 1.4 81.0 10.3 82.0 4.5 83.0 5.3 88.0 100.0 89.0 21.8 90.0 1.3 91.0 1.2 95.0 3.1 97.0 12.8 98.0 1.0 99.0 1.8 125.0 15.9 126.0 1.4 127.0 1.0 170.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H18 O2 0.05 ml : 0.5 ml CDCl3 ethyl cyclohexylacetate 
Assign. Shift(ppm)
A 4.121 B 2.169 C 1.78 D 1.72 E 1.69 F 1.65 J 1.27 K 1.253 L 1.15 M 0.967 ASSIGNED BY C-H COSY
Hz ppm Int.1658.08 4.149 157 1650.88 4.131 458 1643.80 4.114 460 1639.16 4.102 32 1636.60 4.096 167 870.36 2.178 464 863.40 2.161 463 720.70 1.804 39 716.80 1.794 53 713.26 1.785 58 709.59 1.776 72 706.18 1.767 69 702.51 1.758 58 695.80 1.742 137 694.21 1.738 136 692.26 1.733 145 687.87 1.722 144 684.20 1.712 200 681.40 1.705 235 679.57 1.701 200 678.34 1.698 185 674.68 1.689 135 669.07 1.675 171 661.62 1.656 51 660.40 1.653 47 660.03 1.652 47 658.94 1.649 47 656.01 1.642 61 654.05 1.637 64 652.47 1.633 68 650.88 1.629 54 649.17 1.625 47 527.47 1.320 38 524.05 1.312 31 517.94 1.296 76 514.53 1.288 101 511.47 1.280 91 507.93 1.271 543 505.00 1.264 145 500.85 1.254 1000 496.22 1.242 86 493.65 1.236 532 489.14 1.224 97 473.88 1.186 52 471.19 1.180 41 465.21 1.165 51 461.79 1.156 72 452.88 1.134 40 449.83 1.126 68 446.66 1.118 38 404.30 1.012 50 401.61 1.005 50 392.33 0.982 114 390.01 0.976 115 380.37 0.952 95 380.13 0.952 95 378.17 0.947 105 368.90 0.924 40 364.38 0.912 33
in CDCl3
liquid film
4880 A,200 M,liquid
