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Back ChemicalBook Home>CAS DataBase List>123-07-9More Spectrum> 4-Ethylphenol(123-07-9) MS

4-Ethylphenol(123-07-9) MS

Product Name4-Ethylphenol

CAS123-07-9

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


  • 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


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



CCl4 solution



KBr disc



liquid film



nujol mull



4880 A,200 M,powder



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