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

Mass
MS-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 | |
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Assign. Shift(ppm) |
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


4'-CHLOROACETANILIDE(539-03-7) IR2 Atlas of Related Products