N-VALEROYL BROMIDE(1889-26-5) 13C NMR
Product NameN-VALEROYL BROMIDE
CAS1889-26-5
Molecular FormulaC5H9BrO
Molecular Weight165.03
InChIInChI=1S/C5H9BrO/c1-2-3-4-5(6)7/h2-4H2,1H3
InChIKey FDOHPUYPQQKECS-UHFFFAOYSA-N
SmilesC(Br)(=O)CCCC
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MassMS-NW-3227 valeryl bromide C5H9BrO (Mass of molecular ion: 164)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 3.0 18.0 1.9 26.0 10.3 27.0 62.1 28.0 23.9 29.0 73.0 30.0 2.0 31.0 1.0 36.0 1.6 37.0 2.2 38.0 4.5 39.0 27.7 40.0 4.3 41.0 66.5 42.0 11.4 43.0 10.1 44.0 1.3 45.0 4.2 49.0 1.0 50.0 3.5 51.0 2.9 52.0 1.1 53.0 3.8 54.0 1.4 55.0 100.0 56.0 9.2 57.0 67.5 58.0 3.2 60.0 58.2 61.0 2.9 69.0 1.1 73.0 21.9 74.0 3.0 79.0 2.2 80.0 4.7 81.0 2.3 82.0 4.6 83.0 1.2 84.0 32.5 85.0 75.4 86.0 4.6 87.0 1.8 107.0 1.2 109.0 1.1 124.0 1.0 128.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Br O 0.04 ml : 0.5 ml CDCl3 valeryl bromide 
Assign. Shift(ppm)
A 2.997 B 1.66 C 1.37 D 0.941
Hz ppm Int.276.50 3.088 293 273.13 3.050 32 269.38 3.008 688 262.25 2.929 506 259.88 2.902 30 167.50 1.871 40 166.19 1.856 55 160.00 1.787 150 158.31 1.768 81 157.31 1.757 101 155.13 1.733 77 153.13 1.710 229 151.81 1.696 209 151.00 1.687 147 150.25 1.678 146 148.25 1.656 76 146.00 1.631 228 144.75 1.617 231 142.38 1.590 109 141.88 1.585 125 140.38 1.568 128 138.75 1.550 187 137.88 1.540 115 136.56 1.525 131 135.44 1.513 159 134.69 1.504 195 132.56 1.481 88 130.44 1.457 164 129.31 1.444 186 128.69 1.437 184 127.25 1.421 237 125.56 1.402 108 123.19 1.376 194 120.56 1.347 228 119.06 1.330 109 116.31 1.299 145 114.06 1.274 202 112.81 1.260 118 109.44 1.222 106 107.50 1.201 94 96.31 1.076 34 95.63 1.068 47 95.13 1.063 37 93.94 1.049 39 91.25 1.019 315 90.13 1.007 544 89.56 1.000 516 86.13 0.962 66 83.69 0.935 1000 77.31 0.864 171 76.31 0.853 241 74.44 0.832 130
in CDCl3
liquid film
