2,3-DIMETHOXYBENZONITRILE(2024-83-1) 13C NMR
Product Name2,3-DIMETHOXYBENZONITRILE
CAS2024-83-1
Molecular FormulaC9H9NO2
Molecular Weight163.17
InChIInChI=1S/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H3
InChIKey OSEQIDSFSBWXRE-UHFFFAOYSA-N
SmilesC(#N)C1=CC=C(OC)C(OC)=C1
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MassMS-NW-6494 3,4-dimethoxybenzonitrile C9H9NO2 (Mass of molecular ion: 163)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 6.9 18.0 1.2 26.0 4.1 27.0 1.0 28.0 2.3 29.0 3.1 31.0 5.3 37.0 2.2 38.0 5.6 39.0 4.6 41.0 1.2 49.0 1.0 50.0 9.6 51.0 7.3 52.0 1.5 53.0 2.9 54.0 1.3 61.0 1.6 62.0 5.7 63.0 7.9 64.0 2.8 65.0 24.7 66.0 3.3 75.0 3.9 76.0 6.3 77.0 25.2 78.0 2.1 79.0 1.1 88.0 1.6 89.0 3.3 90.0 6.5 92.0 21.6 93.0 3.8 102.0 11.7 103.0 1.6 104.0 1.1 105.0 3.7 117.0 3.3 118.0 1.9 120.0 25.2 121.0 1.8 146.0 1.5 147.0 1.8 148.0 35.7 149.0 3.2 163.0 100.0 164.0 10.2 165.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H9 N O2 0.049 g : 0.5 ml CDCl3 3,4-dimethoxybenzonitrile 
Assign. Shift(ppm)
A 7.280 B 7.082 C 6.910 D *1 3.933 E *1 3.903 J(A,B)=1.9HZ. J(A,C)=8.3HZ.
Hz ppm Int.658.13 7.349 80 656.19 7.327 97 649.75 7.255 121 647.88 7.235 159 635.06 7.091 154 633.19 7.071 129 622.06 6.946 167 613.75 6.853 105 352.31 3.934 998 349.56 3.904 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
