2-CHLOROETHYL PHENYL SULFIDE(5535-49-9) IR1
Product Name2-CHLOROETHYL PHENYL SULFIDE
CAS5535-49-9
Molecular FormulaC8H9ClS
Molecular Weight172.68
InChIInChI=1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey QDXIHHOPZFCEAP-UHFFFAOYSA-N
SmilesC1(SCCCl)=CC=CC=C1
-
MassMS-IW-7364 (2-chloroethylthio)benzene C8H9ClS (Mass of molecular ion: 172)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.4 39.0 4.2 45.0 24.1 47.0 1.1 50.0 2.3 51.0 5.9 58.0 1.2 59.0 1.7 63.0 2.5 65.0 9.6 66.0 4.1 69.0 4.2 77.0 6.1 78.0 1.3 79.0 4.1 82.0 1.2 84.0 1.3 91.0 2.5 108.0 2.6 109.0 17.4 110.0 16.3 111.0 2.0 123.0 100.0 124.0 8.9 125.0 5.1 135.0 2.9 136.0 1.2 137.0 8.1 172.0 53.3 173.0 5.3 174.0 19.7 175.0 2.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H9 Cl S 0.05 ml : 0.5 ml CDCl3 (2-chloroethylthio)benzene 
Assign. Shift(ppm)
A 7.368 B 7.288 C 7.221 D 3.583 E 3.192
Hz ppm Int.2951.42 7.386 226 2950.68 7.384 537 2949.22 7.380 751 2947.14 7.375 222 2943.36 7.365 484 2942.14 7.362 875 2940.92 7.359 820 2938.72 7.354 142 2921.63 7.311 171 2920.90 7.309 330 2919.80 7.306 548 2917.97 7.302 193 2914.79 7.294 199 2913.33 7.290 602 2912.60 7.288 1000 2911.13 7.285 462 2906.49 7.273 289 2905.15 7.270 503 2902.71 7.264 93 2892.70 7.239 265 2891.24 7.235 466 2889.89 7.232 258 2886.23 7.222 182 2883.91 7.217 504 2881.59 7.211 127 2878.05 7.202 109 2876.71 7.199 181 2875.49 7.196 94 1440.43 3.605 776 1436.52 3.595 167 1433.47 3.587 597 1432.74 3.585 723 1430.79 3.581 499 1427.86 3.573 177 1424.44 3.565 909 1283.45 3.212 897 1279.91 3.203 173 1276.86 3.195 505 1275.39 3.192 707 1274.29 3.189 548 1271.24 3.181 158 1267.46 3.172 752 1265.14 3.166 40
in CDCl3
liquid film
