2'-Chloroacetanilide(533-17-5) 1H NMR
Product Name2'-Chloroacetanilide
CAS533-17-5
Molecular FormulaC8H8ClNO
Molecular Weight169.61
InChIInChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
InChIKey KNVQTRVKSOEHPU-UHFFFAOYSA-N
SmilesC(NC1=CC=CC=C1Cl)(=O)C
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MassMS-NW-4239 2'-chloroacetanilide C8H8ClNO (Mass of molecular ion: 169)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.9 37.0 1.4 38.0 2.4 39.0 4.5 42.0 1.3 43.0 35.6 50.0 1.6 51.0 1.3 52.0 2.4 61.0 1.0 62.0 1.7 63.0 6.1 64.0 4.8 65.0 7.9 73.0 3.1 74.0 1.0 75.0 2.1 77.0 1.2 90.0 2.7 91.0 4.8 92.0 8.4 93.0 1.0 99.0 6.2 100.0 2.9 101.0 2.2 102.0 1.0 126.0 1.4 127.0 100.0 128.0 8.1 129.0 32.7 130.0 2.3 134.0 26.7 135.0 2.6 169.0 11.5 170.0 1.3 171.0 3.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 Cl N O 0.044 g : 0.5 ml CDCl3 2'-chloroacetanilide 
Assign. Shift(ppm)
A 8.30 B 7.7 C 7.34 D 7.25 E 7.03 F 2.216
Hz ppm Int.740.44 8.268 33 739.50 8.258 32 663.00 7.403 50 662.69 7.400 50 661.25 7.384 57 660.75 7.378 55 655.50 7.320 72 655.06 7.315 69 653.69 7.299 111 653.13 7.293 93 650.25 7.261 74 649.88 7.257 79 648.00 7.236 46 642.44 7.174 53 642.00 7.169 51 640.50 7.152 34 640.06 7.147 32 635.94 7.101 79 634.13 7.081 83 628.31 7.016 76 626.56 6.996 69 198.44 2.216 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
