3,5-Dimethoxytoluene(4179-19-5) MS
Product Name3,5-Dimethoxytoluene
CAS4179-19-5
Molecular FormulaC9H12O2
Molecular Weight152.19
InChIInChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChIKey RIZBLVRXRWHLFA-UHFFFAOYSA-N
SmilesC1(OC)=CC(C)=CC(OC)=C1
-
MassMS-IW-9524 3,5-dimethoxytoluene C9H12O2 (Mass of molecular ion: 152)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.3 27.0 2.9 28.0 1.8 29.0 1.0 38.0 2.5 39.0 10.7 40.0 2.8 41.0 3.8 43.0 2.2 50.0 3.5 51.0 7.5 52.0 5.5 53.0 5.5 55.0 1.8 59.0 1.0 62.0 1.6 63.0 4.1 64.0 1.5 65.0 7.6 66.0 9.0 67.0 1.6 69.0 3.4 74.0 1.0 76.0 2.2 77.0 17.4 78.0 8.2 79.0 15.3 80.0 1.3 81.0 2.6 89.0 1.2 90.0 1.2 91.0 22.9 92.0 11.5 93.0 5.4 94.0 6.8 105.0 2.0 106.0 2.4 107.0 10.2 108.0 8.0 109.0 16.6 110.0 1.3 119.0 1.3 121.0 12.3 122.0 15.1 123.0 51.7 124.0 4.6 137.0 4.5 151.0 5.7 152.0 100.0 153.0 10.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C9 H12 O2 0.05 ml : 0.5 ml CDCl3 3,5-dimethoxytoluene 
Assign. Shift(ppm)
A 6.321 B 6.273 C 3.735 D 2.283
Hz ppm Int.2527.95 6.326 206 2527.34 6.324 209 2525.63 6.320 239 2525.02 6.319 237 2509.16 6.279 90 2506.96 6.273 125 2504.88 6.268 62 1493.04 3.736 1000 912.72 2.284 504 912.11 2.283 494
in CDCl3
liquid film
