4'-CHLOROACETANILIDE(539-03-7) IR2
Product Name4'-CHLOROACETANILIDE
CAS539-03-7
Molecular FormulaC8H8ClNO
Molecular Weight169.61
InChIInChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey GGUOCFNAWIODMF-UHFFFAOYSA-N
SmilesC(NC1=CC=C(Cl)C=C1)(=O)C
-
MassMS-NW-3883 4'-chloroacetanilide C8H8ClNO (Mass of molecular ion: 169)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.6 28.0 1.2 37.0 1.2 38.0 2.0 39.0 3.4 42.0 1.0 43.0 31.8 50.0 1.9 51.0 1.5 52.0 1.5 62.0 2.0 63.0 5.2 64.0 2.7 65.0 5.9 73.0 3.2 74.0 1.1 75.0 2.4 77.0 1.0 78.0 2.6 90.0 1.7 91.0 2.7 92.0 6.8 99.0 5.6 100.0 3.7 101.0 2.0 102.0 1.3 111.0 1.1 126.0 1.7 127.0 100.0 128.0 7.9 129.0 32.3 130.0 2.3 169.0 23.4 170.0 2.3 171.0 7.5
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C8 H8 Cl N O 0.042 g : 0.5 ml DMSO-d6 4'-chloroacetanilide 
Assign. Shift(ppm)
A 10.09 B 7.633 C 7.349 D 2.067
Hz ppm Int.4033.36 10.093 69 3058.47 7.653 27 3055.27 7.645 208 3053.28 7.640 72 3048.55 7.629 79 3046.42 7.623 243 3043.37 7.616 29 2944.34 7.368 37 2941.28 7.360 298 2939.15 7.355 87 2934.42 7.343 81 2932.43 7.338 245 2929.23 7.330 26 826.11 2.068 1000
KBr disc
nujol mull
