Product NameETHYL PHENYL SULFIDE
CAS622-38-8
Molecular FormulaC8H10S
Molecular Weight138.23
InChIInChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey AEHWKBXBXYNPCX-UHFFFAOYSA-N
SmilesC1(SCC)=CC=CC=C1
Mass
MS-IW-4767 (ethylthio)benzene C8H10S (Mass of molecular ion: 138)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.4 29.0 4.4 38.0 1.0 39.0 6.9 45.0 25.5 47.0 1.2 50.0 3.5 51.0 9.7 52.0 1.1 58.0 2.0 59.0 3.1 60.0 2.7 61.0 2.2 63.0 2.1 65.0 12.1 66.0 17.7 67.0 1.0 69.0 6.0 71.0 1.0 74.0 1.3 77.0 10.3 78.0 4.7 79.0 4.7 82.0 1.7 84.0 6.1 91.0 2.8 103.0 1.2 105.0 3.7 108.0 3.1 109.0 16.0 110.0 60.5 111.0 5.2 112.0 2.9 123.0 66.0 124.0 5.7 125.0 3.2 135.0 1.1 137.0 1.7 138.0 100.0 139.0 9.8 140.0 4.9
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H10 S | 0.05 ml : 0.5 ml CDCl3 |
(ethylthio)benzene |
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Assign. Shift(ppm) |
Hz ppm Int.
2926.64 7.324 143 2925.17 7.320 195 2923.22 7.315 69 2920.04 7.307 99 2919.07 7.305 179 2918.09 7.302 329 2917.11 7.300 343 2915.16 7.295 68 2907.71 7.276 71 2906.37 7.273 240 2904.30 7.268 77 2900.88 7.259 79 2898.93 7.254 337 2897.58 7.251 159 2892.70 7.239 80 2890.99 7.234 167 2889.40 7.230 34 2862.18 7.162 71 2860.84 7.159 131 2859.50 7.156 71 2855.59 7.146 63 2853.64 7.141 157 2851.68 7.136 54 2847.78 7.126 42 2846.44 7.123 73 2845.09 7.119 40 1175.29 2.941 157 1167.85 2.923 463 1160.52 2.904 488 1153.20 2.886 173 521.85 1.306 497 514.40 1.288 1000 507.08 1.269 526
in CDCl3
liquid film
ETHYL PHENYL SULFIDE(622-38-8) IR1 Atlas of Related Products