3,4,5-Trimethoxybenzonitrile(1885-35-4) MS
Product Name3,4,5-Trimethoxybenzonitrile
CAS1885-35-4
Molecular FormulaC10H11NO3
Molecular Weight193.2
InChIInChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3
InChIKey OSBQUSPVORCDCU-UHFFFAOYSA-N
SmilesC(#N)C1=CC(OC)=C(OC)C(OC)=C1
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MassMS-NW-7097 3,4,5-trimethoxybenzonitrile C10H11NO3 (Mass of molecular ion: 193)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
14.0 1.1 15.0 14.8 17.0 1.0 18.0 3.7 26.0 1.3 27.0 1.8 28.0 1.8 29.0 3.9 31.0 1.8 37.0 7.0 38.0 4.1 39.0 3.4 41.0 1.3 42.0 1.0 43.0 1.8 45.0 1.1 49.0 1.5 50.0 6.3 51.0 4.6 52.0 3.9 53.0 9.9 61.0 2.2 62.0 3.8 63.0 6.7 64.0 34.4 65.0 6.8 66.0 2.1 67.0 1.2 75.0 5.5 76.0 12.9 77.0 6.9 78.0 3.1 79.0 4.7 80.0 1.4 88.0 1.8 89.0 2.2 90.0 9.9 91.0 2.2 92.0 4.3 93.0 1.2 95.0 3.9 101.0 1.4 102.0 4.8 103.0 1.4 104.0 5.4 105.0 1.3 106.0 1.2 107.0 10.8 108.0 1.1 117.0 3.8 118.0 20.1 119.0 2.5 120.0 25.1 121.0 2.0 122.0 2.0 132.0 8.2 133.0 8.5 134.0 1.6 135.0 34.0 136.0 3.1 146.0 1.0 147.0 2.0 148.0 1.2 150.0 32.5 151.0 3.2 162.0 2.3 163.0 7.2 164.0 1.2 176.0 1.4 177.0 3.3 178.0 69.5 179.0 7.6 180.0 1.0 193.0 100.0 194.0 12.1 195.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 N O3 0.039 g : 0.5 ml CDCl3 3,4,5-trimethoxybenzonitrile 
Assign. Shift(ppm)
A 6.877 B 3.907 C 3.888
Hz ppm Int.2748.41 6.878 424 1561.40 3.907 735 1553.96 3.889 1000
in CDCl3
KBr disc
nujol mull
