3,5-Dichloroanisole(33719-74-3) IR2
Product Name3,5-Dichloroanisole
CAS33719-74-3
Molecular FormulaC7H6Cl2O
Molecular Weight177.03
InChIInChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey SSNXYMVLSOMJLU-UHFFFAOYSA-N
SmilesC1(Cl)=CC(OC)=CC(Cl)=C1
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MassMS-NW-8865 3,5-dichloroanisole C7H6Cl2O (Mass of molecular ion: 176)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.4 36.0 1.7 37.0 1.9 38.0 2.8 49.0 1.3 50.0 3.4 51.0 1.6 61.0 3.4 62.0 6.9 63.0 17.0 72.0 1.2 73.0 8.3 74.0 7.8 75.0 9.5 77.0 10.5 78.0 1.3 83.0 2.5 84.0 1.5 85.0 2.6 87.0 1.0 91.0 1.6 97.0 3.4 98.0 3.8 99.0 1.5 100.0 1.2 107.0 1.4 109.0 6.3 110.0 2.4 111.0 26.4 112.0 3.0 113.0 13.6 114.0 1.1 115.0 1.9 126.0 3.9 128.0 1.3 133.0 23.3 134.0 1.6 135.0 15.0 137.0 2.5 141.0 2.6 145.0 4.7 146.0 69.3 147.0 16.0 148.0 44.6 149.0 8.9 150.0 7.6 151.0 1.3 161.0 2.5 163.0 1.6 175.0 1.4 176.0 100.0 177.0 8.5 178.0 64.3 179.0 5.1 180.0 10.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl2 O 0.046 g : 0.5 ml CDCl3 3,5-dichloroanisole 
Assign. Shift(ppm)
A 6.939 B 6.785 C 3.775 J(A,B)=1.8HZ.
Hz ppm Int.623.44 6.962 93 621.75 6.943 162 619.88 6.922 146 608.31 6.793 379 606.56 6.773 296 338.13 3.776 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
