Dimethyl phthalate(131-11-3) IR1

Product NameDimethyl phthalate

CAS 131-11-3

Molecular FormulaC10H10O4

Molecular Weight194.18

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

InChIKey NIQCNGHVCWTJSM-UHFFFAOYSA-N

SmilesC1(C(OC)=O)=CC=CC=C1C(OC)=O

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Mass

MS-NW-5550          
dimethyl phthalate
C10H10O4            (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.4
      28.0       1.4
      29.0       1.2
      38.0       1.1
      39.0       1.3
      50.0       7.2
      51.0       2.6
      52.0       1.2
      63.0       1.3
      64.0       2.1
      66.0       1.3
      74.0       2.3
      75.0       2.5
      76.0       8.4
      77.0      18.3
      78.0       1.4
      79.0       1.4
      92.0       7.3
     104.0       4.7
     105.0       3.1
     120.0       2.1
     133.0       4.4
     135.0       7.5
     163.0     100.0
     164.0      10.2
     165.0       1.1
     194.0       6.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₀ O₄	0.04 ml : 0.5 ml CDCl₃
dimethyl phthalate

    Assign.     Shift(ppm)

      A             7.73
      B             7.53
      C             3.905

     Hz     ppm     Int.

    697.19   7.785     31
    693.81   7.747     35
    693.44   7.743     28
    691.94   7.726     27
    690.69   7.713     40
    688.13   7.684     71
    687.69   7.679     63
    684.19   7.640     23
    682.19   7.618     23
    678.69   7.579     71
    678.19   7.573     58
    675.63   7.544     33
    674.44   7.531     26
    672.88   7.514     33
    669.38   7.475     31
    349.81   3.906   1000

in CDCl3