Sulfenone(80-00-2) MS
Molecular FormulaC12H9ClO2S
Molecular Weight252.72
InChIInChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChIKey OFCFYWOKHPOXKF-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(S(C2=CC=CC=C2)(=O)=O)C=C1
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MassMS-IW-8378 p-chlorophenyl phenyl sulfone C12H9ClO2S (Mass of molecular ion: 252)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.8 50.0 6.7 51.0 15.8 63.0 1.4 65.0 2.4 73.0 1.0 74.0 3.1 75.0 10.7 76.0 4.7 77.0 26.7 78.0 2.2 81.0 1.3 85.0 1.1 94.0 2.7 95.0 1.1 97.0 8.8 99.0 2.6 108.0 1.1 109.0 1.2 111.0 10.2 112.0 1.0 113.0 3.3 125.0 100.0 126.0 8.0 127.0 7.2 131.0 4.6 133.0 1.7 141.0 1.1 151.0 1.6 152.0 6.4 153.0 1.9 159.0 48.3 160.0 3.6 161.0 18.0 162.0 1.3 188.0 1.0 251.0 1.3 252.0 46.4 253.0 7.1 254.0 17.6 255.0 2.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H9 Cl O2 S 0.039 g : 0.5 ml CDCl3 p-chlorophenyl phenyl sulfone 
Assign. Shift(ppm)
A 7.93 B 7.88 C 7.59 D 7.50 E 7.46
Hz ppm Int.718.94 8.028 40 715.50 7.990 254 713.56 7.968 295 710.38 7.932 685 708.56 7.912 401 705.75 7.881 434 703.69 7.858 300 701.56 7.834 736 699.31 7.809 148 697.56 7.789 62 697.06 7.784 57 686.19 7.662 43 681.94 7.615 102 680.25 7.596 175 679.38 7.586 166 677.31 7.563 671 675.56 7.544 604 672.38 7.508 1000 670.13 7.483 507 667.88 7.458 136 667.00 7.448 157 666.63 7.444 159 665.56 7.432 269 663.50 7.409 490 661.25 7.384 117 650.69 7.266 99
in CDCl3
KBr disc
nujol mull
