Paeonol(552-41-0) MS

Product NamePaeonol

CAS 552-41-0

Molecular FormulaC9H10O3

Molecular Weight166.17

InChIInChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3

InChIKey UILPJVPSNHJFIK-UHFFFAOYSA-N

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

Request For Quotation

Mass

MS-NW-6597          
2'-hydroxy-4'-methoxyacetophenone
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.2
      18.0       2.7
      27.0       1.1
      28.0       1.5
      38.0       1.3
      39.0       2.9
      41.0       1.7
      43.0       7.9
      50.0       1.5
      51.0       3.3
      52.0       2.8
      53.0       2.3
      55.0       1.4
      62.0       1.1
      63.0       2.1
      64.0       1.1
      65.0       2.9
      66.0       1.0
      69.0       3.1
      77.0       1.9
      79.0       1.8
      80.0       2.0
      93.0       1.6
      95.0       6.5
     108.0       6.4
     123.0       1.4
     151.0     100.0
     152.0       8.7
     153.0       1.0
     166.0      43.4
     167.0       4.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.043 g : 0.5 ml CDCl₃
2'-hydroxy-4'-methoxyacetophenone

    Assign.     Shift(ppm)

      A            12.73
      B             7.613
      C             6.43
      D             6.41
      E             3.827
      F             2.542

     Hz     ppm     Int.

   1140.15  12.731    318
    687.01   7.671     77
    680.69   7.601     22
    677.61   7.566     89
    581.82   6.497     64
    579.26   6.468    131
    575.07   6.422     92
    572.94   6.398    127
    572.08   6.388    160
    569.52   6.360     27
    342.82   3.828    893
    227.72   2.543   1000

in CDCl3