3,4-DIMETHYLANISOLE(4685-47-6) 13C NMR
Product Name3,4-DIMETHYLANISOLE
CAS4685-47-6
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3
InChIKey LVUBSVWMOWKPDJ-UHFFFAOYSA-N
SmilesC1(C)=CC=C(OC)C=C1C
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MassMS-NW-5901 3,4-dimethylanisole C9H12O (Mass of molecular ion: 136)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.5 27.0 5.5 38.0 1.8 39.0 11.2 40.0 1.6 41.0 5.0 50.0 3.8 51.0 9.9 52.0 4.4 53.0 5.8 62.0 1.6 63.0 4.9 64.0 1.3 65.0 8.7 66.0 1.6 67.0 1.9 68.0 1.5 74.0 1.2 77.0 27.5 78.0 7.2 79.0 5.6 89.0 1.6 91.0 32.3 92.0 4.5 93.0 11.3 94.0 1.1 103.0 4.2 104.0 1.8 105.0 9.9 106.0 2.6 107.0 1.4 120.0 1.0 121.0 82.4 122.0 8.4 134.0 1.0 135.0 34.8 136.0 100.0 137.0 10.1 150.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O 0.04 ml : 0.5 ml CDCl3 3,4-dimethylanisole 
Assign. Shift(ppm)
A 7.008 B 6.69 C 6.66 D 3.746 E *1 2.223 F *1 2.180
Hz ppm Int.632.38 7.061 47 624.50 6.973 71 598.75 6.686 158 596.13 6.657 26 590.69 6.596 40 587.75 6.563 25 335.56 3.747 1000 199.13 2.224 432 195.25 2.181 448
in CDCl3
KBr disc
4880 A,200 M,liquid
