2-CHLOROETHYL 4-CHLOROPHENYL SULFONE(16191-84-7) MS
Product Name2-CHLOROETHYL 4-CHLOROPHENYL SULFONE
CAS16191-84-7
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12
InChIInChI=1S/C8H8Cl2O2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey KXQHTLXSDBXWNB-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(S(CCCl)(=O)=O)C=C1
-
MassMS-IW-4921 2-chloroethyl p-chlorophenyl sulfone C8H8Cl2O2S (Mass of molecular ion: 238)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
26.0 1.5 27.0 20.8 28.0 2.3 36.0 3.9 38.0 1.8 39.0 1.1 45.0 1.6 49.0 1.0 50.0 15.8 51.0 8.4 61.0 2.6 62.0 1.3 63.0 38.5 64.0 1.4 65.0 12.3 69.0 1.3 73.0 3.0 74.0 9.3 75.0 44.3 76.0 9.7 77.0 4.6 84.0 1.2 85.0 5.2 87.0 2.2 99.0 5.5 101.0 2.1 103.0 1.1 108.0 1.6 110.0 1.0 111.0 100.0 112.0 23.5 113.0 37.5 114.0 7.5 115.0 1.0 125.0 3.0 127.0 15.1 128.0 5.4 129.0 4.9 130.0 1.7 131.0 3.7 133.0 1.4 138.0 1.2 159.0 39.0 160.0 3.2 161.0 14.3 162.0 1.1 175.0 93.0 176.0 14.6 177.0 35.7 178.0 5.3 179.0 1.8 190.0 1.8 192.0 1.4 202.0 10.0 204.0 4.0 210.0 31.9 211.0 2.4 212.0 21.7 213.0 1.6 214.0 4.3 238.0 37.3 239.0 3.7 240.0 25.3 241.0 2.4 242.0 4.9
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H8 Cl2 O2 S 0.040 g : 0.5 ml CDCl3 2-chloroethyl p-chlorophenyl sulfone 
Assign. Shift(ppm)
A 7.871 B 7.581 C 3.764 D 3.544
Hz ppm Int.3152.95 7.890 127 3150.63 7.884 843 3148.56 7.879 298 3143.80 7.867 332 3141.72 7.862 948 3139.40 7.856 138 3036.25 7.598 163 3033.81 7.592 1000 3031.74 7.586 316 3027.10 7.575 315 3025.02 7.570 837 3022.58 7.564 115 3020.87 7.559 39 1513.06 3.786 367 1512.45 3.785 371 1508.54 3.775 115 1505.74 3.768 765 1504.03 3.764 394 1501.22 3.757 127 1497.92 3.749 538 1497.44 3.747 528 1423.34 3.562 537 1422.97 3.561 529 1419.56 3.553 114 1416.75 3.545 378 1415.16 3.541 741 1412.23 3.534 103 1408.33 3.524 368 1407.84 3.523 365
in CDCl3
KBr disc
nujol mull
