120-44-5

DESOXYANISOIN(120-44-5) ¹³C NMR

Product NameDESOXYANISOIN

CAS 120-44-5

Molecular FormulaC16H16O3

Molecular Weight256.3

InChIInChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3

InChIKey SICBLYCPRWNHHP-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(OC)C=C1)CC1=CC=C(OC)C=C1

Request For Quotation

DESOXYANISOIN(120-44-5) <sup>13</sup>C NMR
Mass

MS-IW-0049          
4'-methoxy-2-(p-methoxyphenyl)acetophenone
C16H16O3            (Mass of molecular ion:    256)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      64.0       1.5
      77.0       8.9
      78.0       1.9
      91.0       1.1
      92.0       3.8
     107.0       6.5
     121.0       8.3
     135.0     100.0
     136.0       9.2
     256.0       9.3
     257.0       1.6

400 MHz in CDCl3

DESOXYANISOIN(120-44-5) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₆ H₁₆ O₃	0.036 g : 0.5 ml CDCl₃
4'-methoxy-2-(p-methoxyphenyl)acetophenone

    Assign.     Shift(ppm)

      A             7.983
      B             7.175
      C             6.913
      D             6.851
      E             4.160
      F             3.839
      G             3.765

     Hz     ppm     Int.

   3195.19   7.995    255
   3193.12   7.990     76
   3188.23   7.978     79
   3186.16   7.973    251
   3183.35   7.966     31
   2872.07   7.187    181
   2870.36   7.183     61
   2865.48   7.170     68
   2863.40   7.165    199
   2767.33   6.925    254
   2765.14   6.919     75
   2760.38   6.907     76
   2758.30   6.902    237
   2755.37   6.895     30
   2742.31   6.862    242
   2740.11   6.857     76
   2735.60   6.845     71
   2733.52   6.840    212
   1662.84   4.161    429
   1534.30   3.840    953
   1504.64   3.765   1000

in CDCl3