1-Octanesulfonyl Chloride(7795-95-1) MS
Product Name1-Octanesulfonyl Chloride
CAS7795-95-1
Molecular FormulaC8H17ClO2S
Molecular Weight212.74
InChIInChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChIKey WIVNTNLDTMNDNO-UHFFFAOYSA-N
SmilesC(S(Cl)(=O)=O)CCCCCCC
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MassMS-NW-2940 1-octanesulfonyl chloride C8H17ClO2S (Mass of molecular ion: 212)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.3 18.0 1.4 26.0 1.5 27.0 23.7 28.0 5.7 29.0 37.6 36.0 4.3 38.0 1.4 39.0 16.6 40.0 3.3 41.0 76.5 42.0 38.1 43.0 82.6 44.0 3.0 48.0 5.3 50.0 1.6 51.0 2.6 52.0 1.9 53.0 4.2 54.0 5.1 55.0 80.9 56.0 66.8 57.0 56.8 58.0 2.7 63.0 2.2 64.0 11.0 67.0 6.9 68.0 20.3 69.0 100.0 70.0 46.8 71.0 29.2 72.0 1.7 77.0 3.9 78.0 8.9 79.0 1.2 81.0 3.1 82.0 7.8 83.0 35.9 84.0 34.5 85.0 4.4 91.0 3.3 93.0 1.0 95.0 1.0 97.0 6.1 105.0 1.1 109.0 5.2 110.0 1.9 111.0 10.8 112.0 8.2 113.0 1.2 114.0 1.2 159.0 4.8 177.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H17 Cl O2 S 0.05 ml : 0.5 ml CDCl3 1-octanesulfonyl chloride 
Assign. Shift(ppm)
A 3.65 B 2.05 C 1.59 to 1.23 D 0.90
Hz ppm Int.335.38 3.745 434 332.06 3.708 36 329.75 3.682 203 327.88 3.662 389 325.25 3.632 186 319.94 3.573 595 197.88 2.210 36 197.56 2.206 35 197.19 2.202 37 195.94 2.188 34 195.56 2.184 34 195.25 2.181 32 194.88 2.176 34 194.31 2.170 36 190.44 2.127 115 190.06 2.123 117 189.00 2.111 106 187.63 2.096 103 186.81 2.086 109 185.06 2.067 132 182.81 2.042 176 180.69 2.018 128 179.31 2.003 132 175.13 1.956 148 173.13 1.934 114 170.56 1.905 50 169.81 1.897 49 167.56 1.871 78 149.63 1.671 31 149.06 1.665 33 148.00 1.653 36 147.25 1.645 39 146.69 1.638 40 145.81 1.629 44 145.44 1.624 45 144.69 1.616 46 140.00 1.564 114 139.19 1.555 116 138.69 1.549 116 138.19 1.543 127 135.75 1.516 131 135.31 1.511 134 134.69 1.504 138 133.00 1.486 171 131.56 1.469 206 117.69 1.315 989 115.19 1.287 1000 101.81 1.137 50 101.13 1.130 47 100.81 1.126 46 99.44 1.111 43 99.13 1.107 42 98.81 1.104 41 97.44 1.088 33 97.06 1.084 32 96.63 1.079 31 95.94 1.072 31 95.50 1.067 31 93.75 1.047 32 93.25 1.042 33 92.06 1.028 42 91.50 1.022 43 91.25 1.019 43 90.81 1.014 44 84.75 0.947 246 79.63 0.890 776 73.50 0.821 168 69.75 0.779 61
in CDCl3
liquid film
