BIS(3,5-DI-T-BUTYL-4-HYDROXYBENZYL) SULFIDE(1620-93-5) IR2
Product NameBIS(3,5-DI-T-BUTYL-4-HYDROXYBENZYL) SULFIDE
CAS1620-93-5
Molecular FormulaC30H46O2S
Molecular Weight470.75
InChIInChI=1S/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
InChIKey UDFARPRXWMDFQU-UHFFFAOYSA-N
SmilesS(CC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)CC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
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MassMS-IW-3468 4,4'-(thiodimethylene)bis(2,6-di-tert-butylphenol) C30H46O2S (Mass of molecular ion: 470)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
29.0 1.3 41.0 3.5 43.0 1.3 55.0 1.9 57.0 8.1 69.0 1.2 77.0 1.1 79.0 1.0 80.0 1.6 91.0 2.1 105.0 1.7 115.0 1.1 119.0 1.8 121.0 2.0 128.0 1.3 129.0 1.5 131.0 1.1 133.0 1.6 134.0 1.0 143.0 1.3 145.0 1.9 147.0 2.1 161.0 8.6 162.0 1.9 163.0 6.2 164.0 2.2 175.0 3.9 176.0 1.7 189.0 2.5 195.0 2.3 203.0 9.9 204.0 1.8 205.0 2.3 217.0 2.1 218.0 5.2 219.0 100.0 220.0 21.9 221.0 2.5 235.0 2.0 237.0 1.1 250.0 1.0 251.0 7.1 252.0 10.1 253.0 2.0 470.0 8.6 471.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C30 H46 O2 S 0.040 g : 0.5 ml CDCl3 4,4'-(thiodimethylene)bis(2,6-di-tert-butylphenol) 
Assign. Shift(ppm)
A 7.109 B 5.13 C 3.620 D 1.434
Hz ppm Int.2841.31 7.110 148 2050.42 5.131 103 1446.78 3.621 133 573.36 1.435 1000
in CDCl3
KBr disc
nujol mull
