3'-Hydroxyacetophenone(121-71-1) MS

Product Name3'-Hydroxyacetophenone

CAS 121-71-1

Molecular FormulaC8H8O2

Molecular Weight136.15

InChIInChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3

InChIKey LUJMEECXHPYQOF-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=CC(O)=C1)C

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3'-Hydroxyacetophenone(121-71-1) MS
Mass

MS-NW-1881          
3'-hydroxyacetophenone
C8H8O2              (Mass of molecular ion:    136)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.0
      18.0       2.1
      27.0       2.0
      28.0       2.6
      29.0       1.1
      37.0       2.0
      38.0       5.6
      39.0      23.6
      40.0       1.5
      42.0       1.3
      43.0      28.0
      46.0       1.1
      50.0       4.0
      51.0       4.1
      52.0       1.1
      53.0       4.5
      55.0       1.0
      60.5       2.0
      61.0       2.0
      62.0       3.9
      63.0       9.6
      64.0       5.1
      65.0      36.9
      66.0       3.9
      74.0       1.9
      75.0       1.5
      77.0       3.4
      92.0       2.7
      93.0      59.1
      94.0       6.2
     107.0       1.3
     121.0     100.0
     122.0       7.7
     136.0      57.8
     137.0       5.1

90 MHz in CDCl3

3'-Hydroxyacetophenone(121-71-1) MS

¹H NMR	89.56 MHz
C₈ H₈ O₂	0.045 g : 0.5 ml CDCl₃
3'-hydroxyacetophenone

    Assign.     Shift(ppm)

      A             7.56
      B             7.50
      C             7.44
      D             7.32
      E             7.14
      F             2.594

     Hz     ppm     Int.

    677.31   7.563     95
    676.38   7.553     78
    675.13   7.539    158
    674.00   7.526     72
    669.94   7.481     80
    668.31   7.463    142
    666.69   7.445     90
    664.13   7.416     33
    663.13   7.405     59
    662.25   7.395     49
    655.31   7.317     90
    654.25   7.306     55
    648.50   7.241     33
    647.31   7.228     49
    643.38   7.184     65
    641.44   7.163     80
    639.25   7.138     56
    232.31   2.594   1000

in CDCl3