4'-Bromoacetanilide(103-88-8) IR2
Product Name4'-Bromoacetanilide
CAS103-88-8
Molecular FormulaC8H8BrNO
Molecular Weight214.06
InChIInChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey MSLICLMCQYQNPK-UHFFFAOYSA-N
SmilesC(NC1=CC=C(Br)C=C1)(=O)C
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MassMS-NW-0171 4'-bromoacetanilide C8H8BrNO (Mass of molecular ion: 213)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
14.0 2.7 15.0 12.9 26.0 1.4 28.0 3.2 37.0 5.1 38.0 12.0 39.0 14.1 40.0 2.6 41.0 3.4 42.0 4.6 43.0 70.4 44.0 1.4 45.5 2.6 49.0 1.6 50.0 9.7 51.0 4.6 52.0 6.6 61.0 5.0 62.0 12.1 63.0 34.7 64.0 20.0 65.0 31.0 66.0 4.2 74.0 5.2 75.0 6.4 76.0 4.0 77.0 1.5 78.0 1.2 79.0 1.1 88.0 1.5 89.0 1.2 90.0 9.0 91.0 21.9 92.0 44.6 93.0 3.4 105.0 1.7 117.0 4.5 119.0 5.0 133.0 1.5 143.0 8.5 144.0 1.0 145.0 8.2 155.0 1.2 157.0 1.0 169.0 1.2 170.0 4.7 171.0 100.0 172.0 10.7 173.0 95.5 174.0 7.3 213.0 27.9 214.0 3.2 215.0 27.4 216.0 2.5
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 Br N O 0.039 g : 0.5 ml DMSO-d6 4'-bromoacetanilide 
Assign. Shift(ppm)
A 10.1 B 7.569 C 7.471 D 2.055
Hz ppm Int.4023.13 10.067 71 3033.29 7.590 25 3030.55 7.584 173 3028.41 7.578 69 3023.68 7.566 83 3021.55 7.561 263 3018.80 7.554 38 2992.25 7.488 46 2989.50 7.481 330 2987.37 7.475 92 2982.64 7.464 74 2980.50 7.458 210 2977.60 7.451 21 821.38 2.056 1000
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1H NMR 89.56 MHz C8 H8 Br N O 0.048 g : 0.5 ml DMSO-d6 4'-bromoacetanilide Assign. Shift(ppm)
A 10.03 B 7.54 C 7.48 D 2.053
Hz ppm Int.898.31 10.031 39 684.06 7.639 42 683.75 7.635 42 683.19 7.629 38 680.94 7.604 29 677.31 7.563 41 674.56 7.532 376 673.00 7.515 113 672.50 7.509 109 670.94 7.492 366 668.19 7.461 49 664.63 7.422 30 662.38 7.396 41 661.81 7.390 42 183.88 2.054 1000
KBr disc
nujol mull
4880 A,200 M,powder
