2-Chloro-N-(2,6-dimethylphenyl)acetamide(1131-01-7) MS
Product Name2-Chloro-N-(2,6-dimethylphenyl)acetamide
CAS1131-01-7
Molecular FormulaC10H12ClNO
Molecular Weight197.66
InChIInChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey FPQQSNUTBWFFLB-UHFFFAOYSA-N
SmilesC(NC1=C(C)C=CC=C1C)(=O)CCl
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MassMS2014-05048CW 2-chloro-2',6'-dimethylacetanilide C10H12ClNO (Mass of molecular ion: 197)
Source Temperature: 240 °C Sample Temperature: 25 °C Direct, 70 eV
18.0 2.3 27.0 3.9 28.0 2.5 30.0 1.8 38.0 1.2 39.0 9.1 40.0 1.3 41.0 3.3 42.0 3.2 49.0 5.3 50.0 2.3 51.0 6.7 52.0 4.1 53.0 4.4 54.0 1.4 62.0 1.2 63.0 4.1 64.0 1.7 65.0 8.8 66.0 1.9 76.0 1.3 77.0 19.7 78.0 5.9 79.0 5.6 80.0 1.7 89.0 2.2 90.0 1.3 91.0 19.9 92.0 5.2 93.0 6.2 94.0 1.3 102.0 1.7 103.0 6.0 104.0 5.6 105.0 15.5 106.0 17.2 107.0 2.6 116.0 1.1 117.0 3.0 118.0 6.9 119.0 5.2 120.0 43.7 121.0 28.1 122.0 6.2 130.0 1.9 132.0 1.9 133.0 4.3 134.0 2.4 144.0 2.0 146.0 2.6 147.0 2.9 148.0 100.0 149.0 10.2 160.0 1.4 162.0 2.3 182.0 3.0 184.0 1.0 197.0 28.9 198.0 4.3 199.0 9.7 200.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 Cl N O 0.036 g : 0.5 ml CDCl3 2-chloro-2',6'-dimethylacetanilide 
Assign. Shift(ppm)
A 7.88 B 7.118 C 7.077 D 4.201 E 2.212
Hz ppm Int.2855.10 7.145 24 2849.24 7.130 42 2846.19 7.122 51 2840.33 7.108 113 2831.05 7.084 186 2830.69 7.083 185 2824.58 7.068 54 2822.39 7.063 51 1679.20 4.202 741 884.16 2.213 1000
in CDCl3
KBr disc
nujol mull
