Product Name3,3-Bis(4-acetoxyphenyl)-1(3H)-isobenzofuranone/3,3-bis(4-isovaleryloxyphenyl)-1(3H)-isobenzofuranone

CAS

Molecular Formula

Molecular Weight

Request For Quotation

Mass

MS-IW-3291          
Phenovalin
C30H30O6 C24H18O6   (Mass of molecular ion:    486)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      27.0       1.4
      28.0       1.1
      29.0       7.0
      39.0       1.7
      41.0      11.6
      42.0       1.1
      43.0      10.8
      55.0       1.9
      57.0      52.7
      58.0       2.4
      69.0       2.4
      76.0       2.8
      83.0       1.3
      85.0      40.2
      86.0       2.3
      93.0       1.1
     104.0       5.0
     105.0       1.2
     115.0       1.0
     121.0      13.5
     122.0       1.0
     139.0       1.7
     141.0       1.9
     151.0       1.0
     152.0       1.9
     168.0       1.6
     181.0       5.3
     189.0       1.6
     196.0       1.4
     197.0       8.4
     198.0       1.3
     202.0       1.4
     213.0       1.3
     215.0       3.0
     224.0       2.0
     225.0      18.3
     226.0       5.0
     227.0       1.7
     244.0       2.3
     245.0       1.6
     255.0       1.1
     257.0       5.5
     258.0       1.2
     271.0       1.0
     272.0       1.0
     273.0      12.1
     274.0      59.7
     275.0      12.2
     276.0       1.5
     289.0       1.1
     301.0       1.0
     302.0       2.2
     317.0       2.4
     318.0     100.0
     319.0      31.5
     320.0       5.2
     360.0      11.6
     361.0       3.8
     386.0       3.5
     387.0       1.9
     402.0      22.2
     403.0      15.7
     404.0       3.7
     486.0       3.2
     487.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₀ H₃₀ O₆	0.052 g : 0.5 ml CDCl₃
phenovalin

    Assign.     Shift(ppm)

      A             7.94
      B             7.70
      C             7.56
      D             7.56
      E             7.35
      F     *1      7.07
      G     *1      7.06
      J             2.422
      K             2.279
      L             2.22
      M             1.037
     
     1:1 MIXTURE OF METHYL AND ISOPROPYL DERIVATIVES.

     Hz     ppm     Int.

   3177.00   7.950     59
   3176.27   7.948     58
   3175.66   7.947     72
   3168.46   7.929     86
   3079.22   7.705     51
   3078.61   7.704     39
   3077.27   7.700     53
   3076.17   7.698     34
   3071.78   7.687     39
   3070.56   7.684     39
   3069.58   7.681     37
   3068.48   7.678     31
   3029.79   7.582     52
   3028.44   7.578     37
   3025.02   7.570     47
   3023.68   7.566     81
   3022.71   7.564     86
   3021.97   7.562     95
   3021.12   7.560    126
   3017.33   7.550     38
   3016.48   7.548     51
   3015.63   7.546     73
   3014.28   7.543     56
   3013.43   7.541     85
   2943.85   7.367    252
   2942.38   7.363    234
   2940.31   7.358     78
   2937.13   7.350     90
   2934.94   7.344    315
   2933.47   7.341    273
   2932.13   7.337     59
   2930.66   7.334     39
   2832.76   7.089     32
   2829.96   7.082    278
   2827.76   7.076     97
   2826.17   7.072    250
   2823.97   7.067     91
   2823.24   7.065     93
   2821.04   7.059    257
   2819.46   7.055     80
   2817.26   7.050    224
    971.80   2.432    233
    964.72   2.414    287
    910.77   2.279   1000
    907.10   2.270     32
    900.02   2.253     30
    893.19   2.235     43
    886.47   2.219     48
    879.76   2.202     35
    879.27   2.201     35
    417.97   1.046    930
    411.25   1.030    901

in CDCl3

KBr disc

nujol mull

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