Cyclohexyl acetate(622-45-7) 13C NMR
Product NameCyclohexyl acetate
CAS622-45-7
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKey YYLLIJHXUHJATK-UHFFFAOYSA-N
SmilesC(OC1CCCCC1)(=O)C
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MassMS-NW-0020 cyclohexyl acetate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 200 °C Sample Temperature: 65 °C Reservoir, 75 eV
15.0 3.7 18.0 1.5 27.0 5.6 28.0 2.3 29.0 4.5 39.0 6.3 40.0 1.0 41.0 13.4 42.0 2.1 43.0 100.0 44.0 4.1 53.0 2.2 54.0 19.2 55.0 15.6 56.0 2.2 57.0 9.0 58.0 7.5 59.0 1.3 61.0 8.6 67.0 58.5 68.0 3.5 71.0 3.7 72.0 1.2 79.0 1.4 81.0 8.0 82.0 80.2 83.0 9.7 99.0 4.5 100.0 4.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O2 0.05 ml : 0.5 ml CDCl3 cyclohexyl acetate 
Assign. Shift(ppm)
A 4.735 B 2.027 C 1.85 D 1.72 E 1.55 F 1.41 G 1.35 J 1.25
Hz ppm Int.1902.22 4.760 31 1897.83 4.749 39 1893.07 4.737 59 1888.92 4.727 47 813.48 2.036 60 810.30 2.028 1000 745.00 1.865 69 738.77 1.849 73 734.38 1.838 88 696.90 1.744 67 694.21 1.738 78 688.48 1.723 71 685.06 1.715 57 683.96 1.712 57 625.85 1.566 34 616.33 1.543 34 615.23 1.540 34 614.38 1.538 33 613.40 1.535 38 578.00 1.447 30 566.89 1.419 67 564.82 1.414 62 555.91 1.391 151 553.10 1.384 76 550.66 1.378 61 547.36 1.370 141 545.65 1.366 146 538.70 1.348 55 536.01 1.342 76 533.20 1.335 42 525.27 1.315 39 504.27 1.262 31 503.30 1.260 32 502.08 1.257 30
in CDCl3
liquid film
4880 A,100M,liquid
