4,4'-Thiobis(2-methyl-6-tert-butylphenol)(96-66-2) IR1
Product Name4,4'-Thiobis(2-methyl-6-tert-butylphenol)
CAS96-66-2
Molecular FormulaC22H30O2S
Molecular Weight358.54
InChIInChI=1S/C22H30O2S/c1-13-9-15(11-17(19(13)23)21(3,4)5)25-16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3
InChIKey YFHKLSPMRRWLKI-UHFFFAOYSA-N
SmilesS(C1=CC(C)=C(O)C(C(C)(C)C)=C1)C1=CC(C)=C(O)C(C(C)(C)C)=C1
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MassMS-NW-8294 4,4'-thiobis(2-tert-butyl-6-methylphenol) C22H30O2S (Mass of molecular ion: 358)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
29.0 1.3 39.0 1.3 41.0 3.8 57.0 6.2 59.0 1.6 77.0 1.8 91.0 2.3 105.0 1.4 115.0 2.1 117.0 1.5 119.0 1.2 121.0 1.4 128.0 1.9 129.0 2.2 130.0 1.4 135.0 1.1 136.0 14.8 136.5 2.5 137.0 1.5 139.0 1.6 147.0 1.7 149.0 1.2 150.0 7.3 150.5 1.4 151.0 3.2 152.0 1.8 153.0 1.3 161.0 1.5 164.0 6.6 164.5 1.3 165.0 1.6 171.5 3.6 179.0 7.2 180.0 2.6 181.0 1.4 195.0 12.5 196.0 2.2 287.0 2.7 302.0 2.5 315.0 2.6 343.0 18.5 344.0 4.6 345.0 1.4 357.0 1.5 358.0 100.0 359.0 25.2 360.0 7.9 361.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C22 H30 O2 S 0.037 g : 0.5 ml CDCl3 4,4'-thiobis(2-tert-butyl-6-methylphenol) 
Assign. Shift(ppm)
A 7.173 B 6.993 C 4.78 D 2.180 E 1.365
Hz ppm Int.2867.92 7.177 67 2865.72 7.171 68 2796.14 6.997 66 2795.65 6.996 68 2793.95 6.991 64 2793.33 6.990 60 1909.91 4.779 150 871.46 2.181 344 545.90 1.366 1000
in CDCl3
KBr disc
nujol mull
