96-66-2

4,4'-Thiobis(2-methyl-6-tert-butylphenol)(96-66-2) MS

Product Name4,4'-Thiobis(2-methyl-6-tert-butylphenol)

CAS 96-66-2

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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4,4'-Thiobis(2-methyl-6-tert-butylphenol)(96-66-2) MS
Mass

MS-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

4,4'-Thiobis(2-methyl-6-tert-butylphenol)(96-66-2) MS

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