ETHYL 4-ACETYLBENZOATE(38430-55-6) IR1
Product NameETHYL 4-ACETYLBENZOATE
CAS38430-55-6
Molecular FormulaC11H12O3
Molecular Weight192.21
InChIInChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3
InChIKey GLOAPLPTWAXAIG-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(C(C)=O)C=C1
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MassMS2017-05459CM ethyl p-acetylbenzoate C11H12O3 (Mass of molecular ion: 192)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
18.0 1.1 27.0 1.4 29.0 1.6 39.0 1.2 43.0 9.3 50.0 5.2 51.0 2.5 52.0 1.6 63.0 1.1 65.0 9.2 66.0 2.6 74.0 2.2 75.0 4.0 76.0 9.8 77.0 4.8 89.0 1.3 90.0 1.0 91.0 8.7 93.0 1.3 103.0 5.8 104.0 8.2 105.0 1.9 119.0 7.2 120.0 1.3 121.0 10.3 122.0 1.5 132.0 1.1 147.0 37.3 148.0 4.0 149.0 37.8 150.0 3.5 164.0 3.3 177.0 100.0 178.0 10.7 179.0 1.1 192.0 21.6 193.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H12 O3 0.044 g : 0.5 ml CDCl3 ethyl p-acetylbenzoate 
Assign. Shift(ppm)
A 8.11 B 8.01 C 4.407 D 2.640 E 1.416 J(C,E)=7.1HZ.
Hz ppm Int.733.06 8.186 60 732.19 8.176 41 730.88 8.161 27 726.69 8.115 40 724.44 8.089 229 723.38 8.078 74 719.25 8.031 222 716.94 8.006 42 712.75 7.959 24 711.38 7.944 40 710.50 7.934 59 405.75 4.531 48 398.50 4.450 169 391.38 4.371 177 384.31 4.292 57 236.44 2.641 1000 133.88 1.495 186 126.75 1.416 407 119.63 1.336 172
in CDCl3
KBr disk
Nujol
