2-Chloro-1,4-dimethoxybenzene(2100-42-7) MS
Product Name2-Chloro-1,4-dimethoxybenzene
CAS2100-42-7
Molecular FormulaC8H9ClO2
Molecular Weight172.61
InChIInChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
InChIKey QMXZSRVFIWACJH-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(OC)C=C1Cl
-
MassMS-KW-0273 2-chloro-1,4-dimethoxybenzene C8H9ClO2 (Mass of molecular ion: 172)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.1 26.0 1.3 28.0 1.3 37.0 1.0 38.0 1.3 39.0 2.8 41.0 1.0 50.0 2.9 51.0 7.2 53.0 7.7 54.0 2.2 60.0 1.7 61.0 2.0 62.0 4.2 63.0 11.6 64.0 2.4 65.0 10.7 66.0 1.6 73.0 1.6 74.0 1.9 75.0 3.3 77.0 4.2 79.0 13.3 85.0 1.0 86.0 2.4 87.0 1.1 88.0 1.5 92.0 1.8 98.0 2.4 99.0 1.6 107.0 13.8 108.0 1.4 111.0 1.2 113.0 1.4 114.0 3.1 116.0 1.0 126.0 2.9 128.0 1.2 129.0 17.9 130.0 1.2 131.0 5.8 141.0 1.0 157.0 100.0 158.0 7.8 159.0 32.2 160.0 2.5 172.0 60.3 173.0 5.5 174.0 20.1 175.0 1.7
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8H9ClO2 0.05 ml : 0.5 ml CDCl3 2-chloro-1,4-dimethoxybenzene 
Assign. Shift(ppm)
A 6.938 B 6.830 C 6.738 D *1 3.817 E *1 3.726
Hz ppm Int.2773.93 6.939 246 2770.88 6.931 257 2733.89 6.839 166 2724.98 6.817 257 2698.00 6.749 190 2694.95 6.742 176 2688.97 6.727 124 2685.92 6.719 115 1525.40 3.816 961 1494.63 3.739 27 1489.26 3.726 1000
in CDCl3
Liquid film
