2',5'-Dihydroxyacetophenone(490-78-8) ¹³C NMR

Product Name2',5'-Dihydroxyacetophenone

CAS 490-78-8

Molecular FormulaC8H8O3

Molecular Weight152.15

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

InChIKey WLDWSGZHNBANIO-UHFFFAOYSA-N

SmilesC(=O)(C1=CC(O)=CC=C1O)C

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Mass

MS-NW-6482          
2',5'-dihydroxyacetophenone
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.6
      17.0       1.0
      18.0       4.5
      26.0       2.7
      27.0       5.8
      28.0       2.5
      29.0       2.1
      38.0       1.4
      39.0       4.5
      41.0       1.3
      42.0       1.6
      43.0      21.2
      50.0       2.5
      51.0       5.1
      52.0       5.6
      53.0       7.8
      54.0       3.3
      55.0       4.3
      62.0       1.4
      63.0       2.4
      68.5       1.4
      69.0       5.6
      76.0       1.0
      77.0       2.4
      78.0       2.2
      79.0       1.4
      80.0       1.1
      81.0      13.7
      82.0       1.9
     105.0       1.6
     106.0       1.2
     108.0       3.1
     109.0      17.8
     110.0       2.9
     133.0       1.1
     134.0       5.4
     135.0       1.0
     136.0       1.1
     137.0     100.0
     138.0       7.9
     150.0       1.6
     151.0       1.4
     152.0      78.2
     153.0       7.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ O₃	0.038 g : 0.5 ml DMSO-d₆
2',5'-dihydroxyacetophenone

    Assign.     Shift(ppm)

      A     *1     11.4
      B     *1      9.23
      C             7.207
      D             7.020
      E             6.823
      F             2.594

     Hz     ppm     Int.

   4550.40  11.386    160
   3690.80   9.236    157
   2881.94   7.212    148
   2879.01   7.204    157
   2811.97   7.037     93
   2809.04   7.029     82
   2803.18   7.015    112
   2800.07   7.007    102
   2729.36   6.830    177
   2720.57   6.808    146
   1036.91   2.595   1000
   1033.79   2.587     20

in DMSO-d6