ETHYL (PHENYLTHIO)ACETATE(7605-25-6) IR1
Product NameETHYL (PHENYLTHIO)ACETATE
CAS7605-25-6
Molecular FormulaC10H12O2S
Molecular Weight196.27
InChIInChI=1S/C10H12O2S/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey SEDRTXNDGKRHBL-UHFFFAOYSA-N
SmilesC(OCC)(=O)CSC1=CC=CC=C1
-
MassMS-IW-1258 ethyl (phenylthio)acetate C10H12O2S (Mass of molecular ion: 196)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.4 29.0 5.0 39.0 2.5 45.0 22.8 47.0 1.1 50.0 1.5 51.0 5.5 65.0 5.7 69.0 2.4 77.0 7.2 78.0 2.5 79.0 3.7 91.0 1.9 108.0 1.7 109.0 9.5 110.0 4.8 121.0 2.3 123.0 100.0 124.0 9.1 125.0 5.0 151.0 1.1 196.0 75.3 197.0 9.2 198.0 4.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H12 O2 S 0.05 ml : 0.5 ml CDCl3 ethyl (phenylthio)acetate 
Assign. Shift(ppm)
A 7.394 B 7.274 C 7.199 D 4.135 E 3.611 F 1.192
Hz ppm Int.2960.94 7.409 217 2959.35 7.405 310 2957.52 7.401 90 2953.49 7.391 176 2952.27 7.388 330 2951.42 7.386 319 2948.97 7.379 57 2914.92 7.294 112 2914.18 7.292 195 2912.35 7.288 72 2906.98 7.274 369 2905.40 7.270 183 2901.37 7.260 83 2900.76 7.259 108 2899.29 7.255 222 2896.97 7.249 43 2885.38 7.220 90 2884.03 7.217 169 2882.81 7.214 99 2878.91 7.204 64 2876.83 7.199 199 2874.39 7.193 54 2870.48 7.183 40 2869.38 7.180 69 2868.16 7.177 40 1663.45 4.163 182 1656.25 4.145 487 1649.17 4.127 487 1641.97 4.109 188 1443.36 3.612 1000 484.01 1.212 525 476.93 1.194 869 469.60 1.176 504
in CDCl3
liquid film
