2,6-diisopropylphenyl acetate(28000-66-0) MS
Product Name2,6-diisopropylphenyl acetate
CAS28000-66-0
Molecular FormulaC14H20O2
Molecular Weight220.3074
InChIInChI=1S/C14H20O2/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3
InChIKey UVYYQAXNOURFPH-UHFFFAOYSA-N
SmilesC(OC1=C(C(C)C)C=CC=C1C(C)C)(=O)C
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MassMS-IW-3811 2,6-diisopropylphenyl acetate C14H20O2 (Mass of molecular ion: 220)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.2 39.0 2.0 41.0 4.8 43.0 11.3 51.0 1.2 53.0 1.3 65.0 1.8 77.0 3.7 79.0 1.6 91.0 7.2 103.0 1.9 105.0 2.4 107.0 3.9 115.0 3.3 116.0 1.0 117.0 6.7 119.0 1.5 121.0 4.5 128.0 2.8 129.0 1.5 131.0 1.1 133.0 2.0 135.0 6.5 147.0 3.4 149.0 1.5 161.0 1.8 163.0 100.0 164.0 12.3 177.0 4.2 178.0 63.5 179.0 8.5 220.0 7.9 221.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H20 O2 0.05 ml : 0.5 ml CDCl3 2,6-diisopropylphenyl acetate 
Assign. Shift(ppm)
A 7.192 B 7.150 C 2.915 D 2.319 E 1.197
Hz ppm Int.2884.77 7.219 40 2879.03 7.204 54 2875.73 7.196 78 2869.87 7.181 164 2860.72 7.159 316 2854.37 7.143 118 2851.81 7.136 104 1179.20 2.951 46 1172.36 2.934 115 1165.53 2.917 154 1158.57 2.899 121 1151.61 2.882 53 930.18 2.328 35 927.00 2.320 984 923.34 2.311 41 481.93 1.206 1000 474.98 1.189 966
in CDCl3
liquid film
