51863-60-6

3,5-Dihydroxyacetophenone(51863-60-6) MS

Product Name3,5-Dihydroxyacetophenone

CAS 51863-60-6

Molecular FormulaC8H8O3

Molecular Weight152.15

InChIInChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3

InChIKey WQXWIKCZNIGMAP-UHFFFAOYSA-N

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

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3,5-Dihydroxyacetophenone(51863-60-6) MS
Mass

MS-IW-0737          
3',5'-dihydroxyacetophenone
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.3
      28.0       1.1
      39.0       1.5
      43.0      11.4
      51.0       1.6
      53.0       2.8
      55.0       1.1
      63.0       1.1
      68.5       2.0
      69.0       9.2
      81.0       6.8
     109.0      46.9
     110.0       4.1
     137.0     100.0
     138.0       8.0
     152.0      99.8
     153.0       9.2
     154.0       1.1

400 MHz in DMSO-d6

3,5-Dihydroxyacetophenone(51863-60-6) MS

¹H NMR	399.65 MHz
C₈ H₈ O₃	0.039 g : 0.5 ml DMSO-d₆
3',5'-dihydroxyacetophenone

    Assign.     Shift(ppm)

      A             9.62
      B             6.813
      C             6.486
      D             2.481

     Hz     ppm     Int.

   3845.37   9.622    655
   2724.00   6.816    458
   2721.71   6.811    470
   2594.45   6.492    126
   2592.16   6.487    228
   2590.03   6.481    120
    991.52   2.481   1000

in DMSO-d6