4'-Methoxy-2-(methylsulfinyl)acetophenone(2813-23-2) MS
Product Name4'-Methoxy-2-(methylsulfinyl)acetophenone
CAS2813-23-2
Molecular Formula
Molecular Weight
InChIInChI=1S/C10H12O3S/c1-13-9-5-3-8(4-6-9)10(11)7-14(2)12/h3-6H,7H2,1-2H3
InChIKey JLQCSEVYGUTSOK-UHFFFAOYSA-N
SmilesC(C1=CC=C(OC)C=C1)(=O)CS(C)=O
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MassMS-KW-1110 4'-methoxy-2-(methylsulfinyl)acetophenone C10H12O3S (Mass of molecular ion: 212)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.2 18.0 2.8 28.0 2.9 29.0 1.2 38.0 2.0 39.0 2.6 44.0 1.0 45.0 4.9 46.0 1.4 47.0 7.6 48.0 6.1 50.0 4.6 51.0 4.8 52.0 2.0 53.0 1.6 61.0 2.6 62.0 2.0 63.0 8.0 64.0 8.4 65.0 2.3 74.0 1.6 75.0 1.5 76.0 2.4 77.0 22.7 78.0 5.9 79.0 2.0 89.0 1.5 91.0 3.1 92.0 12.2 93.0 1.1 106.0 1.2 107.0 10.1 108.0 1.8 121.0 27.2 122.0 2.5 133.0 1.0 135.0 100.0 136.0 11.8 137.0 1.8 149.0 1.5 150.0 38.9 151.0 7.8 194.0 2.1 195.0 1.1 196.0 1.7 212.0 4.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O3 S 0.022 g : 0.5 ml CDCl3 4'-methoxy-2-(methylsulfinyl)acetophenone 
Assign. Shift(ppm)
A 7.965 B 6.977 C *1 4.436 D *1 4.262 E 3.892 F 2.754
Hz ppm Int.3190.80 7.984 28 3187.87 7.977 233 3185.79 7.972 80 3181.03 7.960 76 3178.83 7.955 254 3176.03 7.948 31 2796.02 6.997 30 2793.09 6.989 238 2791.02 6.984 79 2786.25 6.972 71 2784.06 6.967 235 2781.25 6.960 27 1781.37 4.458 97 1767.21 4.422 142 1709.35 4.278 210 1695.31 4.242 148 1555.66 3.893 1000 1100.71 2.755 866
in CDCl3
