BIS(4-HYDROXY-3,5-DIMETHYLPHENYL) SULFONE(13288-70-5) MS
Product NameBIS(4-HYDROXY-3,5-DIMETHYLPHENYL) SULFONE
CAS13288-70-5
Molecular FormulaC16H18O4S
Molecular Weight306.38
InChIInChI=1S/C16H18O4S/c1-9-5-13(6-10(2)15(9)17)21(19,20)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
InChIKey SUCTVKDVODFXFX-UHFFFAOYSA-N
SmilesS(C1=CC(C)=C(O)C(C)=C1)(C1=CC(C)=C(O)C(C)=C1)(=O)=O
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MassMS-IW-4872 4,4'-sulfonylbis(2,6-xylenol) C16H18O4S (Mass of molecular ion: 306)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.0 27.0 1.7 39.0 4.3 41.0 3.5 43.0 3.4 51.0 3.1 52.0 1.5 53.0 5.7 55.0 1.7 63.0 1.9 65.0 6.4 66.0 1.0 67.0 1.9 69.0 1.3 77.0 15.6 78.0 3.0 79.0 3.5 81.0 2.2 89.0 1.3 91.0 17.3 92.0 2.6 93.0 2.6 95.0 1.1 103.0 1.5 107.0 4.0 108.0 2.1 109.0 2.3 119.0 1.7 120.0 2.0 121.0 18.3 121.5 1.6 122.0 32.2 123.0 5.5 137.0 17.5 138.0 98.7 139.0 9.0 141.0 1.6 153.0 1.8 154.0 1.1 169.0 57.6 170.0 39.5 171.0 6.4 172.0 2.2 183.0 1.0 185.0 1.2 211.0 1.9 212.0 1.7 225.0 1.1 226.0 2.2 227.0 2.3 241.0 2.5 242.0 6.5 243.0 1.3 305.0 1.4 306.0 100.0 307.0 19.3 308.0 7.1 309.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C16 H18 O4 S 0.040 g : 0.5 ml DMSO-d6 4,4'-sulfonylbis(2,6-xylenol) 
Assign. Shift(ppm)
A 9.32 B 7.493 C 2.210
Hz ppm Int.3723.60 9.318 148 2994.84 7.494 376 883.33 2.211 1000
in DMSO-d6
KBr disc
nujol mull
