2,4-Dimethyl aniline(95-68-1) Raman
Product Name2,4-Dimethyl aniline
CAS95-68-1
Molecular FormulaC8H11N
Molecular Weight121.18
InChIInChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
InChIKey CZZZABOKJQXEBO-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C)C=C1C
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MassMS-NW-0565 2,4-xylidine C8H11N (Mass of molecular ion: 121)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.8 27.0 2.7 28.0 3.4 30.0 1.2 38.0 1.0 39.0 5.3 41.0 2.6 42.0 2.4 46.5 1.0 50.0 1.6 51.0 4.2 52.0 3.6 53.0 3.8 54.0 1.9 58.5 2.2 59.5 1.8 60.5 1.6 63.0 1.9 65.0 3.6 66.0 1.3 77.0 11.5 78.0 4.2 79.0 3.8 80.0 2.4 91.0 7.3 92.0 1.7 93.0 3.6 94.0 1.4 103.0 3.3 104.0 2.7 105.0 1.8 106.0 54.4 107.0 4.4 118.0 3.1 119.0 2.8 120.0 71.0 121.0 100.0 122.0 8.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H11 N 0.05 ml : 0.5 ml CDCl3 2,4-xylidine 
Assign. Shift(ppm)
A 6.84 B 6.80 C 6.52 D 3.38 E *1 2.000 F *1 2.087
Hz ppm Int.613.63 6.852 222 613.00 6.845 248 612.44 6.839 224 611.75 6.831 196 611.06 6.823 178 607.19 6.780 152 606.69 6.775 144 605.13 6.757 105 587.69 6.562 226 585.06 6.533 63 583.25 6.513 29 581.63 6.495 43 579.19 6.468 124 302.88 3.382 97 203.38 2.271 25 197.06 2.201 1000 187.00 2.088 976 177.81 1.986 30 176.75 1.974 26 175.94 1.965 23
in CDCl3
liquid film
