2,6-Ditert-butyl-4-ethylphenol(4130-42-1) MS

Product Name2,6-Ditert-butyl-4-ethylphenol

CAS 4130-42-1

Molecular FormulaC16H26O

Molecular Weight234.38

InChIInChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3

InChIKey BVUXDWXKPROUDO-UHFFFAOYSA-N

SmilesC1(O)=C(C(C)(C)C)C=C(CC)C=C1C(C)(C)C

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2,6-Ditert-butyl-4-ethylphenol(4130-42-1) MS
Mass

MS-NW-7655          
2,6-di-tert-butyl-4-ethylphenol
C16H26O             (Mass of molecular ion:    234)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      29.0       3.9
      41.0       6.7
      43.0       1.3
      55.0       5.1
      57.0      18.9
      69.0       1.6
      74.0       1.5
      77.0       1.0
      79.0       1.0
      88.0       4.7
      91.0       3.0
      95.0       1.0
     102.0       3.7
     105.0       2.2
     107.0       1.1
     115.0       1.5
     117.0       2.2
     119.0       3.4
     128.0       1.6
     129.0       2.3
     131.0       2.6
     133.0       2.0
     135.0       1.7
     141.0       1.1
     142.0       1.0
     143.0       1.1
     145.0       2.0
     147.0       1.4
     157.0       1.0
     159.0       5.9
     160.0       1.0
     161.0       1.1
     163.0       1.6
     175.0       2.1
     177.0       1.5
     189.0       1.0
     191.0       3.8
     203.0       3.3
     205.0       1.7
     219.0     100.0
     220.0      16.7
     221.0       1.6
     234.0      32.9
     235.0       5.9

90 MHz in CDCl3

2,6-Ditert-butyl-4-ethylphenol(4130-42-1) MS

¹H NMR	89.56 MHz
C₁₆ H₂₆ O	0.038 g : 0.5 ml CDCl₃
2,6-di-tert-butyl-4-ethylphenol

    Assign.     Shift(ppm)

      A             7.000
      B             5.00
      C             2.566
      D             1.439
      E             1.225
     
     NCIL E022

     Hz     ppm     Int.

    626.94   7.001     85
    448.06   5.003     57
    234.19   2.615     27
    226.63   2.531     30
    128.88   1.440   1000
    116.56   1.302     51
    109.06   1.218     87
    101.44   1.133     35

in CDCl3