2,2'-Thiodi(4-tert-octylphenol)(3294-03-9) ¹³C NMR

Product Name2,2'-Thiodi(4-tert-octylphenol)

Molecular FormulaC28H42O2S

Molecular Weight442.7

InChIInChI=1S/C28H42O2S/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6/h11-16,29-30H,17-18H2,1-10H3

InChIKey WQYFETFRIRDUPJ-UHFFFAOYSA-N

SmilesS(C1=CC(C(C)(C)CC(C)(C)C)=CC=C1O)C1=CC(C(C)(C)CC(C)(C)C)=CC=C1O

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Mass

MS-IW-9464          
2,2'-thiobis(4-(1,1,3,3-tetramethylbutyl)phenol)
C28H42O2S           (Mass of molecular ion:    442)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       3.2
      27.0       1.8
      28.0       1.2
      29.0       9.9
      39.0       2.2
      41.0      16.7
      43.0      12.9
      45.0       1.7
      53.0       1.4
      55.0       5.6
      56.0       1.4
      57.0      64.7
      58.0       2.8
      59.0       1.9
      65.0       1.4
      69.0       1.5
      71.0       3.1
      77.0       3.0
      78.0       1.0
      79.0       2.7
      91.0       4.4
      93.0       2.2
      94.0       1.5
      95.0       2.2
      97.0       2.7
     103.0       2.3
     104.0       1.4
     105.0       4.5
     106.0       1.0
     107.0       7.2
     113.0       1.3
     115.0       1.2
     117.0       1.0
     119.0       4.0
     120.0       1.0
     121.0       2.5
     122.0       6.3
     123.0       1.4
     125.0       3.1
     128.0       1.2
     131.0       1.2
     132.0       1.3
     133.0       8.3
     134.0      13.2
     135.0      24.7
     136.0       9.4
     136.5       1.2
     137.0       6.4
     138.0       3.3
     139.0       2.4
     146.0       1.0
     147.0       2.9
     148.0       3.0
     149.0       2.9
     149.5       3.5
     150.0      29.9
     150.5       5.0
     151.0       5.3
     152.0       1.0
     165.0      14.5
     166.0      18.8
     167.0      12.0
     168.0       2.2
     179.0       2.9
     180.0       2.1
     181.0       3.6
     231.0       1.3
     237.0       1.1
     259.0      53.6
     260.0       9.2
     261.0       3.4
     273.0       1.2
     299.0       4.9
     300.0       1.2
     313.0       1.0
     371.0     100.0
     372.0      26.4
     373.0       8.1
     374.0       1.5
     442.0       7.8
     443.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₄₂ O₂ S	0.039 g : 0.5 ml CDCl₃
2,2'-thiobis(4-(1,1,3,3-tetramethylbutyl)phenol)

    Assign.     Shift(ppm)

      A             7.309
      B             7.208
      C             6.860
      D             6.20
      E             1.622
      F             1.260
      G             0.656

     Hz     ppm     Int.

   2922.24   7.312     84
   2919.92   7.307     93
   2886.60   7.223     46
   2884.16   7.217     40
   2878.05   7.202     51
   2875.61   7.196     46
   2745.48   6.870     98
   2736.94   6.849     88
   2478.39   6.202    153
    648.19   1.622    240
    503.78   1.261    604
    262.21   0.657   1000

in CDCl3