Ethyl phenyl sulfone(599-70-2) IR2
Product NameEthyl phenyl sulfone
CAS599-70-2
Molecular FormulaC8H10O2S
Molecular Weight170.23
InChIInChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey VBQUDDWATQWCPP-UHFFFAOYSA-N
SmilesC1(S(CC)(=O)=O)=CC=CC=C1
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MassMS-IW-4914 (ethylsulfonyl)benzene C8H10O2S (Mass of molecular ion: 170)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.2 27.0 9.0 28.0 2.7 29.0 16.4 39.0 3.6 45.0 1.2 50.0 9.6 51.0 34.1 52.0 2.9 53.0 1.0 63.0 1.1 65.0 5.4 66.0 3.2 69.0 1.1 74.0 3.3 75.0 2.4 76.0 3.0 77.0 100.0 78.0 58.2 79.0 4.3 91.0 6.6 93.0 2.9 94.0 54.8 95.0 3.9 97.0 2.9 109.0 1.1 125.0 8.5 126.0 1.3 141.0 28.1 142.0 23.3 143.0 3.1 144.0 1.3 170.0 40.9 171.0 4.2 172.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O2 S 0.041 g : 0.5 ml CDCl3 (ethylsulfonyl)benzene 
Assign. Shift(ppm)
A 7.917 B 7.667 C 7.585 D 3.128 E 1.275
Hz ppm Int.3170.17 7.933 43 3168.09 7.928 233 3167.48 7.926 217 3166.87 7.925 259 3166.14 7.923 129 3165.53 7.921 127 3161.87 7.912 95 3159.79 7.907 351 3158.45 7.904 272 3074.58 7.694 38 3073.24 7.690 69 3072.02 7.687 39 3067.99 7.677 52 3066.04 7.672 162 3063.84 7.667 56 3059.69 7.656 92 3058.35 7.653 151 3057.13 7.650 77 3039.67 7.606 57 3037.72 7.601 233 3036.25 7.598 107 3031.25 7.585 193 3029.91 7.582 340 3028.56 7.579 87 3024.29 7.568 66 3022.58 7.564 134 3021.73 7.561 91 3020.87 7.559 39 1261.47 3.157 155 1253.91 3.138 478 1246.46 3.119 488 1239.14 3.101 167 517.09 1.294 508 509.64 1.276 1000 502.20 1.257 500
in CDCl3
KBr disc
nujol mull
