4-TERT-BUTYLBENZYL ALCOHOL(877-65-6) ¹H NMR

Product Name4-TERT-BUTYLBENZYL ALCOHOL

CAS 877-65-6

Molecular FormulaC11H16O

Molecular Weight164.24

InChIInChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

InChIKey FVEINXLJOJPHLH-UHFFFAOYSA-N

SmilesC1(CO)=CC=C(C(C)(C)C)C=C1

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Mass

MS-NW-5828          
4-tert-butylbenzyl alcohol
C11H16O             (Mass of molecular ion:    164)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.2
      29.0       2.5
      31.0       2.8
      39.0       4.2
      41.0      11.3
      43.0       3.1
      50.0       1.2
      51.0       3.2
      53.0       1.3
      55.0       1.4
      57.0       3.0
      60.0       1.3
      63.0       1.6
      65.0       2.2
      66.0       1.0
      67.0       2.3
      77.0       6.8
      78.0       1.6
      79.0       8.3
      89.0       1.0
      91.0      24.1
      92.0       2.2
      93.0       2.8
     103.0       2.0
     105.0       3.5
     107.0       3.3
     115.0       2.7
     116.0       1.2
     117.0       2.2
     119.0       5.5
     121.0       5.9
     131.0       3.0
     132.0       1.3
     133.0       3.0
     147.0       2.5
     148.0       1.1
     149.0     100.0
     150.0      11.5
     164.0      21.8
     165.0       2.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
4-tert-butylbenzyl alcohol

    Assign.     Shift(ppm)

      A             7.34
      B             7.28
      C             4.581
      D             2.26
      E             1.309

     Hz     ppm     Int.

    656.75   7.334     89
    655.50   7.320     30
    652.94   7.291     69
    652.56   7.287     70
    410.31   4.582    114
    202.63   2.263     90
    119.13   1.331     27
    117.25   1.310   1000
    115.31   1.288     39

in CDCl3