Valeryl chloride(638-29-9) MS
Product NameValeryl chloride
CAS638-29-9
Molecular FormulaC5H9ClO
Molecular Weight120.58
InChIInChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
InChIKey XGISHOFUAFNYQF-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCC
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MassMS-NW-5338 valeryl chloride C5H9ClO (Mass of molecular ion: 120)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.5 15.0 4.0 26.0 10.9 27.0 61.0 28.0 28.5 29.0 80.1 30.0 2.1 31.0 1.0 35.0 1.7 36.0 7.8 37.0 2.4 38.0 4.6 39.0 30.5 40.0 4.3 41.0 80.2 42.0 29.6 43.0 25.1 45.0 3.2 49.0 1.9 50.0 3.4 51.0 3.1 52.0 1.0 53.0 3.5 54.0 1.4 55.0 43.9 56.0 18.0 57.0 93.8 58.0 4.5 60.0 34.1 61.0 1.9 63.0 5.8 65.0 2.0 73.0 14.0 74.0 1.8 77.0 1.1 78.0 34.0 79.0 2.9 80.0 11.3 81.0 1.0 83.0 1.2 84.0 12.2 85.0 100.0 86.0 6.0 87.0 1.4 91.0 10.5 92.0 4.4 93.0 3.7 94.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Cl O 0.04 ml : 0.5 ml CDCl3 valeryl chloride 
Assign. Shift(ppm)
A 2.879 B 1.67 C 1.40 D 0.93
Hz ppm Int.265.94 2.970 309 258.75 2.890 717 255.13 2.849 62 254.81 2.846 60 254.50 2.842 62 251.63 2.810 515 168.13 1.878 48 166.94 1.865 52 160.69 1.795 162 158.81 1.774 88 158.13 1.766 112 156.38 1.747 72 153.81 1.718 256 152.50 1.703 215 151.63 1.694 161 150.88 1.685 173 149.00 1.664 87 146.19 1.633 234 145.44 1.624 239 143.69 1.605 115 142.81 1.595 97 141.75 1.583 135 140.00 1.564 137 139.25 1.555 168 138.31 1.545 117 136.38 1.523 133 135.19 1.510 160 134.56 1.503 200 132.81 1.483 72 132.19 1.476 77 130.19 1.454 181 129.31 1.444 192 128.44 1.435 193 127.00 1.419 242 125.38 1.400 108 124.75 1.393 102 124.38 1.389 102 122.88 1.373 205 120.38 1.345 255 118.19 1.320 108 116.63 1.303 102 113.81 1.271 221 112.56 1.257 127 107.25 1.198 98 91.25 1.019 324 90.19 1.008 551 89.63 1.001 487 87.00 0.972 99 86.06 0.961 107 83.75 0.936 1000 77.50 0.866 210 76.31 0.853 273 74.50 0.832 167 71.50 0.799 45 70.94 0.793 41 69.81 0.780 36
in CDCl3
liquid film
