Acetic acid o-isopropylphenyl ester(1608-68-0) MS
Product NameAcetic acid o-isopropylphenyl ester
CAS1608-68-0
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-8(2)10-6-4-5-7-11(10)13-9(3)12/h4-8H,1-3H3
InChIKey ILKITZBHQBDKCB-UHFFFAOYSA-N
SmilesC1(OC(=O)C)=CC=CC=C1C(C)C
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MassMS-IW-3559 o-isopropylphenyl acetate C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.2 27.0 1.3 39.0 3.8 41.0 2.7 43.0 15.4 51.0 2.3 53.0 1.1 63.0 1.5 65.0 3.4 77.0 7.1 78.0 1.2 79.0 1.0 91.0 8.8 92.0 1.3 93.0 1.8 94.0 1.2 103.0 6.4 107.0 3.3 115.0 1.5 119.0 1.1 120.0 1.3 121.0 100.0 122.0 9.2 135.0 2.9 136.0 48.9 137.0 4.9 178.0 8.7 179.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O2 0.05 ml : 0.5 ml CDCl3 o-isopropylphenyl acetate 
Assign. Shift(ppm)
A 7.296 B 7.19 C 7.16 D 6.976 E 3.018 F 2.269 G 1.200
Hz ppm Int.2921.39 7.310 78 2918.70 7.304 56 2917.60 7.301 61 2916.50 7.298 47 2915.77 7.296 47 2914.43 7.293 56 2913.94 7.292 59 2911.99 7.287 115 2878.30 7.203 35 2877.93 7.202 36 2872.92 7.189 138 2871.58 7.186 179 2870.97 7.184 143 2869.51 7.181 69 2867.55 7.176 256 2864.38 7.168 160 2863.89 7.166 145 2862.06 7.162 147 2857.06 7.149 47 2792.24 6.987 128 2790.28 6.982 78 2788.21 6.977 62 2786.62 6.973 75 2785.52 6.970 80 2782.96 6.964 104 1213.50 3.037 73 1206.54 3.019 97 1199.71 3.002 75 1192.75 2.985 31 907.10 2.270 1000 491.58 1.231 33 487.43 1.220 44 483.28 1.210 881 476.32 1.192 851 470.34 1.177 38
in CDCl3
liquid film
