96-66-2

4,4'-硫联二(6-叔丁基-2-甲基苯酚)(96-66-2)红外图谱(IR2)

产品名称:4,4'-硫联二(6-叔丁基-2-甲基苯酚)

CAS:96-66-2

分子式:C22H30O2S

分子量: 358.54

InChI:InChI=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

Smiles:S(C1=CC(C)=C(O)C(C(C)(C)C)=C1)C1=CC(C)=C(O)C(C(C)(C)C)=C1

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

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