ALPHA-METHYLBENZYL ALCOHOL(13323-81-4) IR2

Product NameALPHA-METHYLBENZYL ALCOHOL

CAS 13323-81-4

Molecular FormulaC8H10O

Molecular Weight122.16

InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

InChIKey WAPNOHKVXSQRPX-UHFFFAOYSA-N

SmilesC1(C(O)C)C=CC=CC=1

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Mass

MS-NW-0762          
(+-)-alpha-methylbenzyl alcohol
C8H10O              (Mass of molecular ion:    122)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       2.8
      38.0       1.3
      39.0       4.9
      43.0      17.6
      45.0       3.1
      50.0       6.6
      51.0      16.1
      52.0       4.1
      53.0       2.1
      53.5       7.0
      62.0       1.2
      63.0       2.9
      65.0       1.6
      74.0       2.6
      75.0       1.6
      76.0       1.7
      77.0      38.1
      78.0      19.2
      79.0      76.9
      80.0       5.4
      91.0       2.2
     102.0       1.3
     103.0       6.3
     104.0       9.5
     105.0       8.4
     106.0       1.1
     107.0     100.0
     108.0       7.7
     121.0       6.3
     122.0      35.8
     123.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O	10.5 mol% in CDCl₃
(+-)-alpha-methylbenzyl alcohol

    Assign.     Shift(ppm)

      A             1.41
      B             2.73
      C             4.77
      D          7.19 to 7.36

     Hz     ppm     Int.

    657.94   7.347     49
    657.50   7.342     48
    656.19   7.327     36
    654.31   7.306    158
    653.94   7.302    153
    651.75   7.278   1000
    650.50   7.264    305
    648.94   7.246    191
    646.75   7.222     41
    643.75   7.188     30
    436.88   4.879     41
    430.38   4.806    127
    423.88   4.733    131
    417.44   4.662     45
    244.56   2.731    174
    129.13   1.442    822
    122.63   1.370    794

in CDCl3