P-ISOPROPYLPHENETOLE(4132-79-0) 1H NMR
Product NameP-ISOPROPYLPHENETOLE
CAS4132-79-0
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c1-4-12-11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3
InChIKey GKDWDNZOCKBXMO-UHFFFAOYSA-N
SmilesC1(OCC)=CC=C(C(C)C)C=C1
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MassMS-IW-3558 p-isopropylphenetole C11H16O (Mass of molecular ion: 164)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 4.3 29.0 3.2 39.0 5.8 41.0 5.2 43.0 1.4 50.0 1.3 51.0 3.5 52.0 1.1 53.0 1.9 55.0 1.6 63.0 2.5 65.0 6.7 66.0 1.4 77.0 14.5 78.0 2.9 79.0 2.5 89.0 1.0 91.0 15.5 92.0 3.1 93.0 4.4 94.0 1.4 95.0 1.6 103.0 10.0 104.0 1.8 105.0 1.6 107.0 4.4 119.0 2.6 120.0 3.3 121.0 92.6 122.0 8.5 135.0 2.6 136.0 1.6 149.0 100.0 150.0 11.3 163.0 3.5 164.0 40.4 165.0 4.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H16 O 0.05 ml : 0.5 ml CDCl3 p-isopropylphenetole 
Assign. Shift(ppm)
A 7.112 B 6.813 C 3.970 D 2.836 E 1.371 F 1.212
Hz ppm Int.2850.22 7.132 33 2849.73 7.131 34 2847.17 7.125 237 2846.68 7.123 256 2844.97 7.119 90 2844.48 7.118 83 2840.58 7.108 94 2840.09 7.107 98 2838.38 7.103 296 2835.45 7.095 40 2834.96 7.094 37 2730.10 6.832 46 2727.17 6.824 325 2724.98 6.819 107 2720.46 6.808 106 2718.38 6.802 281 2715.33 6.795 37 1597.41 3.998 124 1590.45 3.980 350 1583.50 3.963 350 1576.42 3.945 128 1147.34 2.871 31 1140.50 2.854 73 1133.54 2.837 96 1126.59 2.819 73 1119.75 2.802 31 554.93 1.389 410 547.97 1.372 681 540.89 1.354 383 487.92 1.221 1000 480.96 1.204 970
in CDCl3
liquid film
