2-(4-Methylphenyl)ethanol(699-02-5) IR1

Product Name2-(4-Methylphenyl)ethanol

CAS 699-02-5

Molecular FormulaC9H12O

Molecular Weight136.19

InChIInChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3

InChIKey DAVFJRVIVZOKKS-UHFFFAOYSA-N

SmilesC1(CCO)=CC=C(C)C=C1

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Mass

MS-NW-6093          
4-methylphenethyl alcohol
C9H12O              (Mass of molecular ion:    136)

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

      27.0       3.1
      28.0       2.9
      31.0       1.9
      39.0       4.5
      41.0       1.2
      50.0       1.6
      51.0       3.9
      52.0       1.3
      53.0       1.8
      63.0       2.3
      65.0       3.2
      77.0      10.6
      78.0       3.3
      79.0       9.8
      89.0       1.1
      91.0      10.7
      92.0       1.9
     103.0       6.5
     104.0       3.1
     105.0     100.0
     106.0      22.9
     107.0       1.9
     115.0       1.4
     117.0       2.5
     118.0       1.9
     136.0      27.4
     137.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
4-methylphenethyl alcohol

    Assign.     Shift(ppm)

      A             7.08
      B             3.725
      C             2.756
      D             2.53
      E             2.292

     Hz     ppm     Int.

   2837.04   7.099     61
   2827.64   7.076   1000
   2822.14   7.062     61
   2819.95   7.057     60
   2818.85   7.054     71
   1495.61   3.743     99
   1488.77   3.726    187
   1482.06   3.709    109
   1108.15   2.773    236
   1101.32   2.756    423
   1094.48   2.739    227
   1010.25   2.528    102
    916.14   2.293    973

in CDCl3