2-(Methylsulfinyl)acetophenone(2813-22-1) MS
Product Name2-(Methylsulfinyl)acetophenone
CAS2813-22-1
Molecular FormulaC9H10O2S
Molecular Weight182.24
InChIInChI=1S/C9H10O2S/c1-12(11)7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey MJYVAVACHZIDHQ-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC=C1)CS(C)=O
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MassMS-KW-1107 2-(methylsulfinyl)acetophenone C9H10O2S (Mass of molecular ion: 182)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 1.9 45.0 1.6 47.0 2.4 48.0 2.0 50.0 3.7 51.0 12.0 61.0 7.1 63.0 4.0 65.0 7.2 74.0 1.5 75.0 1.2 76.0 2.0 77.0 47.2 78.0 5.2 89.0 1.4 91.0 25.6 92.0 2.1 103.0 2.3 105.0 100.0 106.0 8.0 107.0 1.7 119.0 3.5 120.0 59.0 121.0 5.5 165.0 3.0 166.0 2.0 182.0 3.4 183.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H10 O2 S 0.038 g : 0.5 ml CDCl3 2-(methylsulfinyl)acetophenone 
Assign. Shift(ppm)
A 7.984 B 7.642 C 7.519 D *1 4.488 E *1 4.327 F 2.765
Hz ppm Int.3197.75 8.002 33 3195.92 7.997 154 3194.70 7.994 177 3189.58 7.981 63 3187.50 7.976 198 3186.16 7.973 173 3062.87 7.664 47 3061.65 7.661 30 3057.37 7.651 38 3055.54 7.646 109 3053.71 7.641 42 3049.32 7.630 49 3048.10 7.627 80 3046.75 7.624 43 3011.96 7.537 140 3010.38 7.533 66 3003.91 7.517 191 2998.29 7.503 47 2996.58 7.499 96 1802.25 4.510 115 1787.84 4.474 173 1735.11 4.342 265 1720.70 4.306 177 1105.47 2.767 1000 0.00 0.001 322
in CDCl3
