4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL(17540-75-9) MS

Product Name4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL

CAS 17540-75-9

Molecular FormulaC18H30O

Molecular Weight262.43

InChIInChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3

InChIKey BFZOTKYPSZSDEV-UHFFFAOYSA-N

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

Request For Quotation

4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL(17540-75-9) MS
Mass

MS2014-05076CW      
4-sec-butyl-2,6-di-tert-butylphenol
C18H30O             (Mass of molecular ion:    262)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      29.0       2.4
      39.0       1.4
      41.0       4.8
      55.0       1.7
      56.0       1.4
      57.0       8.6
      77.0       1.0
      87.0       2.2
      91.0       2.3
     101.0       1.1
     105.0       1.5
     115.0       1.6
     117.0       1.4
     119.0       1.0
     121.0       1.3
     128.0       2.6
     129.0       1.6
     131.0       2.2
     133.0       1.5
     141.0       1.0
     143.0       1.0
     145.0       1.3
     147.0       1.2
     157.0       1.0
     159.0       1.0
     161.0       2.1
     163.0       1.0
     175.0       2.1
     177.0       4.3
     187.0       1.9
     191.0       1.7
     203.0       3.4
     205.0       1.1
     206.0       1.0
     217.0       5.1
     218.0       1.2
     219.0       2.5
     231.0       1.3
     233.0     100.0
     234.0      25.2
     235.0       2.4
     247.0      31.9
     248.0       5.8
     262.0      17.8
     263.0       5.1

400 MHz in CDCl3

4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL(17540-75-9) MS

¹H NMR	399.65 MHz
C₁₈ H₃₀ O	0.05 ml : 0.5 ml CDCl₃
4-sec-butyl-2,6-di-tert-butylphenol

    Assign.     Shift(ppm)

      A             6.972
      B             5.00
      C             2.505
      D          1.59 to 1.48
      E             1.440
      F             1.213
      G             0.851

     Hz     ppm     Int.

   2786.38   6.973    209
   1998.54   5.001    128
    998.54   2.499     31
    626.34   1.568     37
    619.38   1.550     38
    612.79   1.534     41
    580.44   1.453     78
    575.68   1.441   1000
    566.65   1.418     55
    563.48   1.410     31
    488.28   1.222    184
    481.32   1.205    192
    347.41   0.870     94
    340.09   0.851    179
    332.64   0.833     90

in CDCl3