4-METHYLPHENETOLE(622-60-6) IR1
Product Name4-METHYLPHENETOLE
CAS622-60-6
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey WSWPHHNIHLTAHB-UHFFFAOYSA-N
SmilesC1(OCC)=CC=C(C)C=C1
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MassMS-NW-5418 p-methylphenetole C9H12O (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.5 27.0 9.2 29.0 4.9 38.0 1.1 39.0 6.9 41.0 1.2 50.0 3.5 51.0 7.1 52.0 4.5 53.0 4.4 55.0 1.1 62.0 1.0 63.0 3.5 64.0 1.1 65.0 6.3 66.0 1.0 77.0 16.0 78.0 4.9 79.0 12.8 80.0 8.4 81.0 1.0 89.0 2.1 90.0 8.3 91.0 9.4 92.0 1.0 93.0 1.3 107.0 72.3 108.0 100.0 109.0 8.3 121.0 1.4 136.0 61.7 137.0 6.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O 0.04 ml : 0.5 ml CDCl3 p-methylphenetole 
Assign. Shift(ppm)
A 7.047 B 6.788 C 3.976 D 2.267 E 1.380 J(C,E)=7.0HZ.
Hz ppm Int.637.00 7.113 146 636.38 7.106 156 634.75 7.088 60 634.06 7.080 49 630.56 7.041 67 629.88 7.034 72 628.13 7.014 292 627.56 7.008 251 625.63 6.986 45 625.00 6.979 39 613.44 6.850 56 610.88 6.821 404 608.63 6.796 96 604.38 6.749 68 602.19 6.724 196 366.94 4.098 113 359.88 4.019 389 352.88 3.941 409 346.00 3.864 139 203.00 2.267 930 130.31 1.456 472 123.38 1.378 1000 116.31 1.299 414
in CDCl3
liquid film
4880 A,200 M,liquid
ANION RADICAL, REDUCTION WITH K AT -80C
