1459-93-4

Dimethyl isophthalate(1459-93-4) ¹³C NMR

Product NameDimethyl isophthalate

CAS 1459-93-4

Molecular FormulaC10H10O4

Molecular Weight194.18

InChIInChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3

InChIKey VNGOYPQMJFJDLV-UHFFFAOYSA-N

SmilesC1(C(OC)=O)=CC=CC(C(OC)=O)=C1

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Dimethyl isophthalate(1459-93-4) <sup>13</sup>C NMR
Mass

MS-NW-1698          
dimethyl isophthalate
C10H10O4            (Mass of molecular ion:    194)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       6.7
      28.0       2.9
      29.0       1.8
      38.0       2.4
      39.0       2.2
      50.0      14.4
      51.0       3.1
      52.0       4.7
      59.0       2.4
      63.0       1.7
      64.0       1.6
      65.0       1.1
      66.0       5.7
      74.0       4.8
      75.0      10.9
      76.0      17.7
      77.0       9.2
      92.0       3.7
     103.0      11.1
     104.0       5.8
     105.0       1.4
     107.0       2.7
     119.0       5.4
     120.0       8.1
     135.0      28.2
     136.0       2.7
     149.0       2.0
     163.0     100.0
     164.0      10.3
     165.0       1.0
     193.0       2.1
     194.0      25.2
     195.0       2.8

90 MHz in CDCl3

Dimethyl isophthalate(1459-93-4) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₁₀ H₁₀ O₄	0.036 g : 0.5 ml CDCl₃
dimethyl isophthalate

    Assign.     Shift(ppm)

      A             3.949
      B             7.533
      C             8.217
      D             8.680

     Hz     ppm     Int.

    779.38   8.703     26
    778.88   8.697     25
    777.63   8.683     51
    777.06   8.677     46
    775.88   8.664     31
    775.31   8.657     25
    741.38   8.279     47
    740.88   8.273     47
    739.69   8.260     42
    739.06   8.253     41
    733.56   8.191     64
    731.75   8.171     64
    681.63   7.611     32
    681.06   7.605     28
    674.31   7.530     27
    673.75   7.523     32
    353.63   3.949   1000

in CDCl3