TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER(959-26-2) ¹³C NMR

Product NameTEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER

CAS 959-26-2

Molecular FormulaC12H14O6

Molecular Weight254.24

InChIInChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

InChIKey QPKOBORKPHRBPS-UHFFFAOYSA-N

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

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Mass

MS-IW-7461          
bis(2-hydroxyethyl) terephthalate
C12H14O6            (Mass of molecular ion:    254)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       1.5
      29.0       1.5
      31.0       1.9
      43.0       1.5
      44.0       3.7
      45.0       2.4
      50.0       2.2
      65.0       6.6
      75.0       2.4
      76.0       5.7
      77.0       1.2
      93.0       1.3
     103.0       4.8
     104.0       8.5
     105.0       1.8
     121.0      10.1
     122.0       1.6
     132.0       1.8
     134.0       1.4
     149.0      59.8
     150.0       5.6
     162.0       1.2
     167.0       3.7
     193.0     100.0
     194.0      11.5
     195.0       1.4
     211.0      63.1
     212.0       7.2
     213.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₄ O₆	0.034 g : 0.5 ml DMSO-d₆
bis(2-hydroxyethyl) terephthalate

    Assign.     Shift(ppm)

      A             8.137
      B             4.99
      C             4.339
      D             3.745
     
     J(B,D)=5.6HZ

     Hz     ppm     Int.

   3252.20   8.138   1000
   2000.00   5.005     63
   1994.38   4.991    144
   1988.65   4.976     67
   1739.38   4.353    157
   1734.62   4.341    193
   1733.52   4.338    144
   1729.49   4.328    169
   1504.27   3.764     68
   1498.90   3.751    145
   1494.38   3.740    137
   1488.89   3.726     69

in DMSO-d6