Methyl phenyl sulfone(3112-85-4) IR2
Product NameMethyl phenyl sulfone
CAS3112-85-4
Molecular FormulaC7H8O2S
Molecular Weight156.2
InChIInChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey JCDWETOKTFWTHA-UHFFFAOYSA-N
SmilesC1(S(C)(=O)=O)=CC=CC=C1
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MassMS-NW-0155 methyl phenyl sulfone C7H8O2S (Mass of molecular ion: 156)
Source Temperature: 190 °C Sample Temperature: 80 °C Reservoir, 75 eV
15.0 7.5 18.0 1.3 27.0 2.7 28.0 1.4 38.0 2.0 39.0 7.1 45.0 2.5 48.0 1.2 49.0 1.0 50.0 16.9 51.0 41.7 52.0 2.4 53.0 1.3 62.0 1.2 63.0 2.6 65.0 12.5 66.0 1.9 69.0 2.0 73.0 1.9 74.0 5.9 75.0 3.7 76.0 3.4 77.0 100.0 78.0 8.0 79.0 1.6 91.0 3.6 93.0 5.5 94.0 32.0 95.0 2.4 97.0 3.5 109.0 1.0 125.0 2.9 141.0 26.8 142.0 1.4 156.0 28.4 157.0 2.8 158.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 O2 S 0.055 g : 0.5 ml CDCl3 methyl phenyl sulfone 
Assign. Shift(ppm)
A 7.943 B 7.65 C 7.61 D 3.057
Hz ppm Int.717.06 8.007 76 715.44 7.989 75 713.44 7.967 36 712.38 7.955 41 711.88 7.949 42 710.56 7.934 53 710.00 7.928 74 709.50 7.923 62 708.63 7.913 39 707.38 7.899 129 689.06 7.694 32 687.75 7.680 37 687.19 7.673 39 686.38 7.664 39 684.56 7.644 113 683.75 7.635 165 682.38 7.620 150 681.38 7.609 78 680.81 7.602 59 679.81 7.591 55 678.06 7.572 54 677.31 7.563 49 676.94 7.559 53 676.38 7.553 77 675.94 7.548 73 273.75 3.057 1000
in CDCl3
KBr disc
liquid film
nujol mull
