123-07-9

4-Ethylphenol(123-07-9)IR

Product Name4-Ethylphenol

CAS 123-07-9

Molecular FormulaC8H10O

Molecular Weight122.16

InChIInChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3

InChIKey HXDOZKJGKXYMEW-UHFFFAOYSA-N

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

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4-Ethylphenol(123-07-9)IR
Mass

MS-NW-3778          
p-ethylphenol
C8H10O              (Mass of molecular ion:    122)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       3.1
      38.0       1.1
      39.0       5.9
      41.0       1.3
      50.0       1.6
      51.0       3.8
      52.0       1.6
      53.0       2.5
      55.0       1.6
      62.0       1.0
      63.0       2.0
      65.0       3.2
      77.0      13.1
      78.0       2.9
      79.0       2.0
      91.0       3.6
      94.0       1.3
     103.0       1.9
     107.0     100.0
     108.0       8.2
     121.0       3.3
     122.0      36.2
     123.0       3.2

400 MHz in CDCl3

4-Ethylphenol(123-07-9)IR

¹H NMR	399.65 MHz
C₈ H₁₀ O	15.5 mg : 0.5 ml CDCl₃
p-ethylphenol

    Assign.     Shift(ppm)

      A             7.064
      B             6.758
      C             4.85
      D             2.575
      E             1.199

     Hz     ppm     Int.

   2828.00   7.077    126
   2827.39   7.075    220
   2826.78   7.074    145
   2826.05   7.072     57
   2825.20   7.070     66
   2824.58   7.068     35
   2821.53   7.061     50
   2820.92   7.059     78
   2819.34   7.055    188
   2818.73   7.053    245
   2818.12   7.052    115
   2707.64   6.776     39
   2704.71   6.768    311
   2702.51   6.763     89
   2698.24   6.752     88
   2696.17   6.747    254
   1937.13   4.848    454
   1040.89   2.605     60
   1033.20   2.586    179
   1025.63   2.567    185
   1018.07   2.548     63
    486.69   1.218    472
    479.13   1.199   1000
    471.44   1.180    451

in CDCl3