BIS(BENZOYLMETHYL) SULFIDE(2461-80-5) MS
Product NameBIS(BENZOYLMETHYL) SULFIDE
CAS2461-80-5
Molecular FormulaC16H14O2S
Molecular Weight270.35
InChIInChI=1S/C16H14O2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey LHSKVFSCEMNSEC-UHFFFAOYSA-N
SmilesS(CC(=O)C1=CC=CC=C1)CC(=O)C1=CC=CC=C1
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MassMS-NW-8020 bis(benzoylmethyl) sulfide C16H14O2S (Mass of molecular ion: 270)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.4 28.0 1.8 39.0 2.0 45.0 1.5 50.0 2.7 51.0 12.2 65.0 2.5 76.0 1.4 77.0 43.9 78.0 3.8 91.0 9.1 105.0 100.0 106.0 7.4 120.0 4.3 133.0 1.4 164.0 3.1 165.0 16.6 166.0 1.9 237.0 11.3 238.0 2.0 270.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H14 O2 S 0.035 g : 0.5 ml CDCl3 bis(benzoylmethyl) sulfide 
Assign. Shift(ppm)
A 7.968 B 7.576 C 7.467 D 3.987
Hz ppm Int.3191.16 7.985 38 3189.33 7.981 238 3188.72 7.979 203 3187.99 7.977 301 3187.26 7.976 149 3186.77 7.974 129 3186.28 7.973 111 3182.98 7.965 87 3180.79 7.959 329 3179.57 7.956 286 3037.72 7.601 42 3036.50 7.598 84 3035.16 7.595 50 3031.01 7.585 58 3029.05 7.580 176 3027.22 7.575 67 3022.95 7.564 91 3021.61 7.561 158 3020.39 7.558 84 2993.16 7.490 48 2991.94 7.487 187 2991.33 7.485 238 2989.87 7.482 115 2984.62 7.469 174 2983.52 7.466 317 2982.18 7.462 113 2977.91 7.452 71 2976.20 7.448 162 2975.46 7.446 123 2974.49 7.443 52 1593.51 3.988 1000
in CDCl3
KBr disc
nujol mull
