2,6-DIMETHOXY-4-METHYLPHENOL(6638-05-7) MS
Product Name2,6-DIMETHOXY-4-METHYLPHENOL
CAS6638-05-7
Molecular FormulaC9H12O3
Molecular Weight168.19
InChIInChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
InChIKey ZFBNNSOJNZBLLS-UHFFFAOYSA-N
SmilesC1(O)=C(OC)C=C(C)C=C1OC
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MassMS-KW-0571 2,6-dimethoxy-4-methylphenol C9H12O3 (Mass of molecular ion: 168)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 1.8 28.0 1.2 39.0 5.9 40.0 1.0 41.0 2.2 43.0 2.0 50.0 1.1 51.0 2.2 52.0 1.3 53.0 6.5 54.0 1.4 55.0 2.2 63.0 1.1 65.0 6.1 66.0 2.4 67.0 2.4 69.0 1.2 77.0 3.0 79.0 6.0 81.0 1.6 82.0 3.1 84.0 1.8 85.0 3.5 93.0 1.8 94.0 1.3 95.0 1.9 97.0 1.6 107.0 9.0 108.0 1.0 109.0 1.8 110.0 4.0 121.0 2.6 122.0 2.4 123.0 3.0 124.0 1.4 125.0 16.2 126.0 1.2 137.0 1.1 138.0 1.2 139.0 1.3 153.0 43.2 154.0 3.9 167.0 5.8 168.0 100.0 169.0 10.5 170.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9H12O3 0.039 g : 0.5 ml CDCl3 2,6-dimethoxy-4-methylphenol 
Assign. Shift(ppm)
A 6.387 B 5.39 C 3.849 D 2.287
Hz ppm Int.2553.47 6.388 252 2552.98 6.386 243 2153.08 5.386 51 1609.87 4.027 10 1538.82 3.850 1000 1533.57 3.837 18 1465.58 3.666 10 914.68 2.288 333 914.07 2.287 445 913.46 2.285 294
in CDCl3
KBr disk
Nujol
