3-PHENYLPROPYL ACETATE(122-72-5) 1H NMR
Product Name3-PHENYLPROPYL ACETATE
CAS122-72-5
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKey JRJGKUTZNBZHNK-UHFFFAOYSA-N
SmilesC1(=CC=CC=C1)CCCOC(=O)C
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MassMS-NW-5439 3-phenylpropyl acetate C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.5 27.0 2.8 39.0 5.3 41.0 2.6 43.0 39.8 44.0 1.1 50.0 1.8 51.0 5.4 52.0 1.4 63.0 2.3 65.0 7.4 77.0 6.4 78.0 4.8 79.0 3.5 89.0 1.6 90.0 1.2 91.0 39.0 92.0 5.6 103.0 5.4 104.0 2.2 105.0 9.3 106.0 1.0 115.0 3.7 116.0 2.1 117.0 80.0 118.0 100.0 119.0 9.9
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C11 H14 O2 0.04 ml : 0.5 ml CDCl3 3-phenylpropyl acetate 
Assign. Shift(ppm)
A 7.43 to 7.03 B 4.077 C 2.673 D 2.034 E 1.95
Hz ppm Int.651.88 7.279 63 650.94 7.269 36 647.06 7.225 253 645.13 7.204 216 642.56 7.175 31 642.00 7.169 40 371.94 4.153 91 365.38 4.080 201 358.88 4.008 106 248.00 2.770 39 241.06 2.692 87 238.69 2.666 44 232.75 2.599 71 182.13 2.034 1000 180.38 2.015 51 179.81 2.008 51 175.88 1.964 46 173.31 1.936 77 166.81 1.863 51 166.06 1.855 32
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1H NMR 399.65 MHz C11 H14 O2 0.05 ml : 0.5 ml CDCl3 3-phenylpropyl acetate Assign. Shift(ppm)
A 7.261 B 7.17 C 7.16 D 4.063 E 2.664 F 2.017 G 1.932
Hz ppm Int.2911.50 7.286 64 2910.64 7.283 83 2909.06 7.280 43 2904.42 7.268 109 2903.81 7.266 119 2902.95 7.264 162 2898.44 7.253 54 2897.34 7.250 47 2895.87 7.247 153 2895.39 7.245 162 2872.44 7.188 74 2871.34 7.185 84 2866.09 7.172 262 2864.62 7.168 181 2864.26 7.167 182 2860.11 7.157 83 2858.28 7.152 189 2857.91 7.152 189 1630.49 4.080 186 1624.02 4.064 352 1617.43 4.048 187 1072.39 2.684 125 1065.06 2.665 162 1057.01 2.645 136 806.15 2.018 1000 802.37 2.008 35 786.50 1.968 60 780.03 1.952 143 778.69 1.949 82 777.59 1.946 55 773.56 1.936 123 772.09 1.932 137 771.00 1.930 143 767.09 1.920 48 765.50 1.916 75 764.53 1.913 146 757.93 1.897 54
in CDCl3
liquid film
4880 A,200 M,liquid
