36395-57-0

ALPHA,ALPHA'-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)-1,4-DIISOPROPYLBENZENE(36395-57-0) MS

Product NameALPHA,ALPHA'-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)-1,4-DIISOPROPYLBENZENE

Molecular FormulaC28H34O2

Molecular Weight402.57

InChIInChI=1S/C28H34O2/c1-17-13-23(14-18(2)25(17)29)27(5,6)21-9-11-22(12-10-21)28(7,8)24-15-19(3)26(30)20(4)16-24/h9-16,29-30H,1-8H3

InChIKey SIDYFHJPUCRHJY-UHFFFAOYSA-N

SmilesC1(C(C2=CC(C)=C(O)C(C)=C2)(C)C)=CC=C(C(C2=CC(C)=C(O)C(C)=C2)(C)C)C=C1

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ALPHA,ALPHA'-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)-1,4-DIISOPROPYLBENZENE(36395-57-0) MS
Mass

MS-IW-9556          
4,4'-(p-phenylenediisopropylidene)bis(2,6-xylenol)
C28H34O2            (Mass of molecular ion:    402)

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

      18.0       2.7
      27.0       1.7
      28.0       4.9
      39.0       4.2
      41.0       7.7
      43.0       3.5
      50.0       1.1
      51.0       3.2
      52.0       1.0
      53.0       2.1
      55.0       1.5
      63.0       1.8
      65.0       3.1
      69.0       1.1
      77.0       8.2
      78.0       3.8
      79.0       4.8
      89.0       1.4
      91.0      10.0
      92.0       1.4
      93.0       1.7
     102.0       2.2
     103.0       6.6
     104.0       3.3
     105.0       4.9
     106.0       1.3
     107.0      16.5
     108.0       2.5
     111.0       1.5
     115.0       6.0
     116.0       2.0
     117.0       5.0
     118.0       2.4
     119.0       3.7
     120.0       1.1
     121.0       9.7
     122.0      20.2
     123.0       6.6
     124.0       1.2
     125.0       2.7
     126.0       1.5
     127.0       3.1
     128.0       6.9
     129.0       4.5
     130.0       1.3
     131.0       2.3
     132.0       2.5
     133.0       2.2
     135.0       8.9
     136.0       1.3
     139.0       1.0
     140.0       1.0
     141.0       2.5
     142.0       1.9
     143.0      13.2
     144.0       2.3
     145.0       1.6
     146.0       1.0
     147.0      10.7
     148.0       2.9
     149.0       4.6
     152.0       1.1
     155.0       1.0
     156.0       1.2
     157.0       1.5
     158.0      16.6
     159.0       4.2
     161.0       1.5
     162.0       2.1
     163.0      32.3
     164.0       5.8
     165.0       2.7
     166.0       1.0
     171.0       2.6
     172.0       1.0
     178.0       2.9
     178.5       2.3
     179.0       2.8
     180.0       1.0
     185.0       1.1
     186.0      55.3
     189.0       1.1
     191.0       1.6
     192.0       1.1
     193.5       6.8
     194.0       3.3
     195.0       1.2
     201.0       4.0
     205.0       1.2
     206.0       1.1
     207.0       1.3
     208.0       1.5
     209.0       2.6
     219.0       1.2
     221.0       1.5
     222.0       1.2
     223.0       2.2
     224.0       2.6
     225.0       1.7
     233.0       1.1
     234.0       1.3
     235.0       3.0
     236.0       1.4
     237.0       1.0
     239.0       1.2
     249.0       4.7
     250.0       5.7
     251.0       3.7
     264.0       1.2
     265.0      28.3
     266.0       7.0
     267.0       1.5
     279.0       1.6
     280.0       6.0
     281.0       2.1
     357.0       2.8
     371.0       4.9
     372.0       6.8
     373.0       2.1
     387.0     100.0
     388.0      29.6
     389.0       4.9
     402.0      22.7
     403.0       6.6
     404.0       1.1

400 MHz in CDCl3

ALPHA,ALPHA'-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)-1,4-DIISOPROPYLBENZENE(36395-57-0) MS

¹H NMR	399.65 MHz
C₂₈ H₃₄ O₂	0.040 g : 0.5 ml CDCl₃
4,4'-(p-phenylenediisopropylidene)bis(2,6-xylenol)

    Assign.     Shift(ppm)

      A             7.107
      B             6.828
      C             4.46
      D             2.181
      E             1.616

     Hz     ppm     Int.

   2840.33   7.108    619
   2728.88   6.829    289
   1783.33   4.463    305
    871.83   2.182   1000
    646.00   1.617    934
    638.06   1.597     26

in CDCl3

KBr disk

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