4'-CYCLOHEXYLACETOPHENONE(18594-05-3) MS
Product Name4'-CYCLOHEXYLACETOPHENONE
CAS18594-05-3
Molecular FormulaC14H18O
Molecular Weight202.29
InChIInChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKey MSDQNIRGPBARGC-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(C2CCCCC2)C=C1)C
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MassMS-IW-2158 4'-cyclohexylacetophenone C14H18O (Mass of molecular ion: 202)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
39.0 1.7 41.0 2.5 43.0 15.5 51.0 1.4 55.0 1.5 63.0 1.0 65.0 1.1 67.0 1.2 77.0 4.1 79.0 1.0 81.0 1.3 89.0 1.0 90.0 1.5 91.0 9.7 102.0 1.0 103.0 3.2 105.0 3.6 115.0 4.0 116.0 1.3 117.0 3.2 118.0 1.2 128.0 1.3 129.0 1.4 131.0 8.8 133.0 1.8 134.0 1.3 145.0 1.3 146.0 1.7 159.0 2.3 187.0 100.0 188.0 14.5 189.0 1.2 202.0 22.4 203.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H18 O 0.036 g : 0.5 ml CDCl3 4'-cyclohexylacetophenone 
Assign. Shift(ppm)
A 7.890 B 7.293 C 2.574 D 2.56 E 1.90 to 1.83 F 1.764 G 1.47 to 1.36 J 1.266
Hz ppm Int.3157.71 7.902 160 3155.76 7.897 55 3151.12 7.885 58 3149.17 7.880 180 2918.58 7.303 153 2916.99 7.299 49 2911.99 7.287 47 2910.40 7.283 150 1028.69 2.574 1000 753.66 1.886 30 750.61 1.879 55 747.56 1.871 73 744.26 1.863 82 742.68 1.859 75 741.21 1.855 78 734.50 1.838 31 578.61 1.448 30 569.82 1.426 64 566.53 1.418 59 560.79 1.404 63 551.51 1.380 34
in CDCl3
KBr disc
nujol mull
