2-Ethylhexanoyl chloride(760-67-8) IR2
Product Name2-Ethylhexanoyl chloride
CAS760-67-8
Molecular FormulaC8H15ClO
Molecular Weight162.66
InChIInChI=1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3
InChIKey WFSGQBNCVASPMW-UHFFFAOYSA-N
SmilesC(Cl)(=O)C(CC)CCCC
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MassMS-NW-8359 2-ethylhexanoyl chloride C8H15ClO (Mass of molecular ion: 162)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 10.8 28.0 1.9 29.0 15.3 36.0 8.2 38.0 2.9 39.0 9.1 40.0 1.6 41.0 30.5 42.0 5.8 43.0 23.9 53.0 2.7 54.0 1.3 55.0 47.8 56.0 10.7 57.0 100.0 58.0 4.8 67.0 1.2 68.0 1.1 69.0 6.3 70.0 11.6 71.0 4.5 73.0 1.6 83.0 16.0 84.0 1.3 88.0 1.6 91.0 4.7 93.0 1.5 97.0 1.3 98.0 7.1 99.0 9.3 106.0 15.8 107.0 1.0 108.0 5.2 126.0 7.1 127.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H15 Cl O 0.04 ml : 0.5 ml CDCl3 2-ethylhexanoyl chloride 
Assign. Shift(ppm)
A 2.68 B 2.02 to 1.48 C 1.48 to 1.16 D 0.97 E 0.91
Hz ppm Int.162.63 1.816 148 157.81 1.763 153 155.06 1.732 248 151.50 1.692 176 150.44 1.680 202 148.94 1.664 157 147.63 1.649 241 144.63 1.615 187 143.81 1.606 164 140.63 1.571 147 140.25 1.566 143 123.94 1.384 349 122.69 1.370 246 121.63 1.359 251 121.25 1.354 245 120.63 1.347 242 120.13 1.342 256 119.06 1.330 262 116.13 1.297 292 113.50 1.268 193 113.13 1.264 195 93.69 1.047 455 88.63 0.990 156 86.56 0.967 1000 83.88 0.937 223 81.38 0.909 578 79.06 0.883 410 78.06 0.872 280 75.50 0.844 155 75.06 0.839 156
in CDCl3
CCl4 solution
liquid film
