Hexanoyl chloride(142-61-0) 1H NMR
Product NameHexanoyl chloride
CAS142-61-0
Molecular FormulaC6H11ClO
Molecular Weight134.6
InChIInChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChIKey YWGHUJQYGPDNKT-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCC
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MassMS-NW-3272 hexanoyl chloride C6H11ClO (Mass of molecular ion: 134)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 3.8 18.0 1.2 26.0 7.1 27.0 58.8 28.0 9.1 29.0 44.2 30.0 1.2 35.0 1.2 36.0 7.6 37.0 2.1 38.0 4.6 39.0 35.7 40.0 6.6 41.0 84.2 42.0 43.2 43.0 96.6 44.0 3.5 45.0 1.3 49.0 1.3 50.0 2.4 51.0 3.2 52.0 1.0 53.0 4.8 54.0 3.1 55.0 100.0 56.0 27.0 57.0 45.1 58.0 2.4 60.0 12.7 61.0 1.5 63.0 4.7 65.0 1.7 67.0 1.0 69.0 10.5 70.0 23.4 71.0 40.2 72.0 2.4 73.0 5.7 74.0 1.0 77.0 3.5 78.0 34.1 79.0 5.3 80.0 10.7 81.0 2.3 83.0 4.1 87.0 1.7 91.0 12.1 92.0 1.1 93.0 4.1 97.0 1.3 98.0 23.5 99.0 83.7 100.0 5.4 105.0 6.2 106.0 5.8 107.0 2.0 108.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H11 Cl O 0.04 ml : 0.5 ml CDCl3 hexanoyl chloride 
Assign. Shift(ppm)
A 2.872 B 1.72 C 1.59 to 1.06 D 0.92
Hz ppm Int.265.38 2.964 374 258.19 2.883 979 250.75 2.800 625 168.38 1.881 47 165.00 1.843 46 163.13 1.822 73 161.50 1.804 150 160.63 1.794 132 158.31 1.768 111 157.13 1.755 99 154.88 1.730 194 153.75 1.717 237 152.94 1.708 200 151.38 1.691 141 151.25 1.689 141 148.00 1.653 171 146.88 1.641 192 144.00 1.608 94 143.25 1.600 78 142.50 1.592 68 141.69 1.583 67 140.50 1.569 117 139.50 1.558 63 138.19 1.543 68 137.06 1.531 54 136.25 1.522 49 135.44 1.513 55 133.63 1.493 69 131.75 1.472 69 129.25 1.444 144 128.56 1.436 135 126.13 1.409 335 125.13 1.398 501 123.56 1.380 314 122.19 1.365 538 121.00 1.352 386 119.63 1.336 416 118.00 1.318 550 116.38 1.300 366 115.31 1.288 272 114.00 1.273 330 112.13 1.253 168 111.13 1.241 277 107.88 1.205 74 106.06 1.185 55 105.44 1.178 56 104.31 1.165 48 103.50 1.156 54 102.19 1.142 41 100.81 1.126 40 100.00 1.117 48 93.44 1.044 41 91.88 1.026 45 91.06 1.017 48 88.81 0.992 189 87.81 0.981 338 87.06 0.973 317 84.81 0.947 227 84.31 0.942 225 81.44 0.910 1000 78.56 0.878 204 75.44 0.843 247 74.00 0.827 173 72.69 0.812 87 72.56 0.811 87 71.50 0.799 84 69.38 0.775 41
in CDCl3
liquid film
