4-CHLOROPHENYL SULFOXIDE(3085-42-5) IR2
Product Name4-CHLOROPHENYL SULFOXIDE
CAS3085-42-5
Molecular FormulaC12H8Cl2OS
Molecular Weight271.16
InChIInChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
InChIKey KJGYFISADIZFEL-UHFFFAOYSA-N
SmilesS(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)=O
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MassMS-NW-9397 bis(p-chlorophenyl) sulfoxide C12H8Cl2OS (Mass of molecular ion: 270)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.6 18.0 8.5 28.0 1.9 36.0 1.7 38.0 1.5 39.0 2.6 45.0 3.9 50.0 15.7 51.0 8.4 58.0 1.1 61.0 1.8 62.0 1.7 63.0 6.8 64.0 1.1 69.0 5.0 73.0 5.6 74.0 8.6 75.0 38.7 76.0 6.8 77.0 1.9 79.0 1.4 81.0 1.1 82.0 2.2 84.0 1.2 85.0 4.5 87.0 3.0 91.0 3.5 91.5 2.1 92.0 1.2 93.0 1.3 95.0 1.7 96.0 1.7 99.0 19.8 100.0 1.5 101.0 6.5 107.0 2.1 108.0 31.0 109.0 6.4 110.0 3.2 111.0 19.6 112.0 5.6 113.0 6.2 114.0 1.4 115.0 1.5 126.0 1.0 127.0 33.9 128.0 2.7 129.0 10.7 130.0 1.2 131.0 11.0 133.0 4.2 136.0 1.0 139.0 3.4 142.0 1.3 143.0 100.0 144.0 8.6 145.0 37.1 146.0 3.0 147.0 1.6 150.0 1.3 151.0 2.6 152.0 14.0 153.0 1.8 156.0 1.3 159.0 21.8 160.0 1.9 161.0 8.0 171.0 2.1 172.0 2.4 173.0 1.1 182.0 1.1 183.0 3.7 184.0 18.6 185.0 2.9 186.0 3.5 187.0 1.2 200.0 1.3 207.0 2.0 218.0 7.1 219.0 5.1 220.0 3.2 221.0 1.9 222.0 59.4 223.0 8.0 224.0 38.1 225.0 5.0 226.0 6.3 235.0 2.6 237.0 1.0 254.0 16.7 255.0 2.7 256.0 11.3 257.0 1.6 258.0 2.1 270.0 43.7 271.0 6.3 272.0 30.4 273.0 4.3 274.0 6.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H8 Cl2 O S 0.040 g : 0.5 ml DMSO-d6 bis(p-chlorophenyl) sulfoxide 
Assign. Shift(ppm)
A 7.776 B 7.636
Hz ppm Int.3115.36 7.796 99 3112.92 7.790 738 3111.08 7.785 282 3106.32 7.773 316 3104.25 7.768 1000 3101.81 7.762 177 3057.98 7.652 152 3055.54 7.646 963 3053.59 7.641 317 3048.83 7.629 270 3047.00 7.625 732 3044.43 7.618 127
in DMSO-d6
in CDCl3
KBr disc
nujol mull
