2,3-DICHLOROANISOLE(1984-59-4) IR1
Product Name2,3-DICHLOROANISOLE
CAS1984-59-4
Molecular FormulaC7H6Cl2O
Molecular Weight177.03
InChIInChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKey HFEASCCDHUVYKU-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC(OC)=C1Cl
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MassMS-NW-6549 2,3-dichloroanisole C7H6Cl2O (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.8 28.0 1.3 29.0 1.4 36.0 1.5 37.0 4.1 38.0 1.8 39.0 2.3 48.0 1.0 49.0 2.2 50.0 4.1 51.0 2.4 61.0 3.7 62.0 6.3 63.0 16.2 64.0 1.0 72.0 4.7 73.0 8.3 74.0 7.0 75.0 9.4 76.0 2.4 77.0 5.9 83.0 2.5 84.0 3.0 85.0 2.4 86.0 1.2 87.0 1.2 97.0 4.9 98.0 3.9 99.0 1.9 100.0 1.2 107.0 4.4 109.0 6.3 110.0 2.3 111.0 8.8 112.0 2.6 113.0 5.5 115.0 1.3 126.0 5.3 128.0 1.9 133.0 51.1 134.0 3.4 135.0 33.0 136.0 2.0 137.0 5.5 141.0 2.7 145.0 2.9 146.0 13.7 147.0 4.0 148.0 8.9 149.0 1.7 150.0 1.6 161.0 33.5 162.0 2.6 163.0 21.3 164.0 1.6 165.0 3.6 176.0 100.0 177.0 8.4 178.0 64.4 179.0 5.4 180.0 10.7 181.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl2 O 0.041 g : 0.5 ml CDCl3 2,3-dichloroanisole 
Assign. Shift(ppm)
A 7.13 B 7.06 C 6.828 D 3.893 J(A,B)=8.1HZ. J(A,C)=7.0HZ. J(B,C)=2.7HZ.
Hz ppm Int.649.19 7.249 33 642.13 7.170 27 641.13 7.159 127 635.50 7.096 158 634.06 7.080 248 632.81 7.066 250 627.44 7.006 65 615.31 6.871 93 612.63 6.841 66 608.31 6.793 51 605.56 6.762 46 348.69 3.894 1000
in CDCl3
KBr disc
nujol mull
