Methyl cyclohexanecarboxylate(4630-82-4) MS
Product NameMethyl cyclohexanecarboxylate
CAS4630-82-4
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey ZQWPRMPSCMSAJU-UHFFFAOYSA-N
SmilesC1(C(OC)=O)CCCCC1
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MassMS-NW-1050 methyl cyclohexanecarboxylate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 11.8 18.0 2.5 26.0 1.6 27.0 17.1 28.0 4.1 29.0 11.4 31.0 1.2 38.0 1.2 39.0 20.7 40.0 3.2 41.0 50.2 42.0 5.2 43.0 4.8 45.0 1.5 50.0 1.6 51.0 2.9 52.0 1.5 53.0 9.0 54.0 11.1 55.0 100.0 56.0 6.3 57.0 1.4 59.0 8.9 61.0 1.5 65.0 1.4 66.0 1.5 67.0 20.2 68.0 20.6 69.0 12.5 70.0 1.0 71.0 1.6 74.0 40.4 75.0 5.8 77.0 2.5 79.0 3.7 81.0 14.2 82.0 25.8 83.0 87.1 84.0 5.7 85.0 1.2 87.0 91.6 88.0 5.7 99.0 1.1 100.0 7.1 101.0 13.3 105.0 1.0 109.0 1.6 110.0 26.5 111.0 19.3 112.0 1.5 113.0 20.6 114.0 3.8 127.0 6.3 141.0 3.6 142.0 37.4 143.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O2 0.05 ml : 0.5 ml CDCl3 methyl cyclohexanecarboxylate 
Assign. Shift(ppm)
A 3.659 B 2.301 C 1.90 D 1.75 E 1.64 F 1.444 G 1.27 J 1.24
Hz ppm Int.1462.52 3.660 1000 935.06 2.340 26 931.40 2.331 51 927.73 2.322 29 923.83 2.312 52 920.17 2.303 102 916.50 2.294 56 912.48 2.284 29 908.81 2.275 55 905.15 2.265 30 764.16 1.913 78 750.61 1.879 86 705.44 1.766 64 692.14 1.732 89 659.30 1.650 44
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
