3,5-Dimethylanisole(874-63-5) IR1
Product Name3,5-Dimethylanisole
CAS874-63-5
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3
InChIKey JCHJBEZBHANKGA-UHFFFAOYSA-N
SmilesC1(OC)=CC(C)=CC(C)=C1
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MassMS-IW-8369 3,5-dimethylanisole C9H12O (Mass of molecular ion: 136)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.5 39.0 5.8 41.0 2.2 50.0 1.8 51.0 4.8 52.0 2.1 53.0 4.0 63.0 2.9 65.0 5.5 67.0 1.1 68.0 1.1 77.0 20.6 78.0 5.2 79.0 4.9 89.0 1.0 91.0 50.9 92.0 5.0 93.0 11.5 94.0 1.0 103.0 3.6 104.0 1.5 105.0 12.8 106.0 7.7 107.0 9.6 121.0 36.6 122.0 3.3 135.0 11.1 136.0 100.0 137.0 10.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 O 0.05 ml : 0.5 ml CDCl3 3,5-dimethylanisole 
Assign. Shift(ppm)
A 6.576 B 6.520 C 3.735 D 2.272
Hz ppm Int.2629.64 6.580 100 2629.03 6.579 115 2628.30 6.577 110 2605.83 6.521 250 1492.80 3.736 905 907.71 2.272 1000
in CDCl3
liquid film
4880 A,200 M,liquid
