O-ISOPROPYLPHENETOLE(56631-59-5) MS
Product NameO-ISOPROPYLPHENETOLE
CAS56631-59-5
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c1-4-12-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3
InChIKey ALMWXJNJADEHOT-UHFFFAOYSA-N
SmilesC1(OCC)=CC=CC=C1C(C)C
-
MassMS-IW-3557 o-isopropylphenetole C11H16O (Mass of molecular ion: 164)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 3.9 29.0 3.6 39.0 5.7 41.0 5.0 43.0 1.1 50.0 1.2 51.0 4.3 52.0 1.3 53.0 1.9 55.0 1.3 63.0 2.5 65.0 6.1 66.0 1.3 77.0 16.0 78.0 3.0 79.0 4.7 89.0 1.5 91.0 18.7 92.0 2.7 93.0 5.0 94.0 2.0 95.0 2.1 102.0 1.6 103.0 13.6 104.0 1.8 105.0 11.8 106.0 1.2 107.0 12.3 108.0 1.1 115.0 3.1 117.0 1.1 119.0 3.2 120.0 2.7 121.0 82.7 122.0 7.6 133.0 1.0 135.0 6.3 136.0 1.5 149.0 100.0 150.0 11.0 164.0 44.5 165.0 5.5 177.0 1.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C11 H16 O 0.05 ml : 0.5 ml CDCl3 o-isopropylphenetole 
Assign. Shift(ppm)
A 7.191 B 7.108 C 6.891 D 6.795 E 3.991 F 3.344 G 1.392 J 1.216
Hz ppm Int.2878.91 7.204 90 2877.20 7.200 99 2871.34 7.185 101 2869.63 7.181 113 2850.34 7.133 64 2848.51 7.128 61 2842.90 7.114 98 2842.41 7.113 94 2841.06 7.109 91 2840.58 7.108 86 2834.72 7.094 88 2833.01 7.089 82 2761.96 6.911 76 2761.23 6.910 78 2760.86 6.909 76 2754.52 6.893 125 2753.66 6.891 127 2747.07 6.874 61 2746.22 6.872 60 2745.85 6.871 59 2720.09 6.807 127 2719.12 6.804 121 2711.91 6.786 113 2710.94 6.784 109 1605.47 4.018 110 1598.39 4.000 303 1591.43 3.983 310 1584.47 3.965 117 1350.71 3.380 30 1343.75 3.363 73 1336.91 3.346 98 1329.96 3.328 76 1323.00 3.311 32 563.23 1.410 408 556.27 1.392 677 553.71 1.386 43 551.51 1.380 41 549.32 1.375 393 546.63 1.368 36 499.76 1.251 34 495.12 1.239 33 489.50 1.225 1000 482.54 1.208 974
in CDCl3
liquid film
