140-66-9

4-tert-Octylphenol (140-66-9) ¹H NMR

Product Name4-tert-Octylphenol

CAS 140-66-9

Molecular FormulaC14H22O

Molecular Weight206.32

InChIInChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

InChIKey ISAVYTVYFVQUDY-UHFFFAOYSA-N

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

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4-tert-Octylphenol (140-66-9) <sup>1</sup>H NMR
Mass

MS-NW-1752          
p-(1,1,3,3-tetramethylbutyl)phenol
C14H22O             (Mass of molecular ion:    206)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.1
      27.0       2.1
      29.0       4.8
      39.0       3.8
      41.0      11.6
      43.0       2.3
      51.0       1.2
      53.0       1.0
      55.0       2.1
      57.0      10.5
      65.0       2.2
      77.0       3.6
      79.0       1.1
      91.0       4.1
      95.0       3.8
     107.0      10.6
     119.0       2.5
     121.0       1.5
     134.0       2.9
     135.0     100.0
     136.0      10.3
     206.0       4.8

90 MHz in CDCl3

4-tert-Octylphenol (140-66-9) <sup>1</sup>H NMR

¹H NMR	89.56 MHz
C₁₄ H₂₂ O	0.048 g : 0.5 ml CDCl₃
p-(1,1,3,3-tetramethylbutyl)phenol

    Assign.     Shift(ppm)

      A             7.21
      B             6.75
      C             5.00
      D             1.687
      E             1.329
      F             0.715

     Hz     ppm     Int.

    650.88   7.268     63
    648.63   7.243     23
    644.31   7.195     24
    642.00   7.169     92
    607.94   6.789    109
    605.56   6.762     26
    601.31   6.715     22
    599.00   6.689     70
    447.31   4.995     91
    151.13   1.688    185
    119.00   1.329    596
     66.44   0.742     34
     66.31   0.741     34
     65.88   0.736     35
     64.00   0.715   1000

in CDCl3