Dimethyl aminoterephthalate(5372-81-6) Raman

Product NameDimethyl aminoterephthalate

CAS 5372-81-6

Molecular FormulaC10H11NO4

Molecular Weight209.2

InChIInChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3

InChIKey DSSKDXUDARIMTR-UHFFFAOYSA-N

SmilesC1(C(OC)=O)=CC=C(C(OC)=O)C=C1N

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Mass

MS-IW-0841          
dimethyl aminoterephthalate
C10H11NO4           (Mass of molecular ion:    209)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.1
      28.0       1.1
      45.5       1.5
      52.0       1.8
      59.5       2.1
      63.0       2.9
      64.0       1.3
      65.0       1.3
      73.5       1.9
      88.5       2.0
      89.0       1.0
      90.0       3.0
      91.0       1.7
      92.0       1.3
     107.0       2.4
     118.0       6.1
     119.0      16.1
     120.0       2.2
     122.0       1.1
     135.0       8.7
     146.0       2.7
     150.0      19.7
     151.0       2.8
     177.0     100.0
     178.0      35.8
     179.0       3.9
     209.0      90.4
     210.0      10.6
     211.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₁ N O₄	0.038 g : 0.5 ml CDCl₃
dimethyl aminoterephthalate

    Assign.     Shift(ppm)

      A             7.897
      B             7.358
      C             7.233
      D             5.87
      E     *1      3.899
      F     *1      3.886

     Hz     ppm     Int.

   3160.89   7.910    124
   3160.40   7.908    117
   3152.47   7.889    137
   3152.10   7.888    125
   2941.89   7.362    127
   2941.41   7.360    125
   2940.19   7.357    143
   2939.82   7.356    126
   2897.95   7.252    106
   2896.24   7.247    102
   2889.53   7.231    104
   2887.94   7.227     96
   1558.35   3.900    985
   1553.10   3.887   1000

in CDCl3