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返回ChemicalBook首页>CAS数据库列表>959-26-2更多图谱> 双(2-羟基乙基)对苯二甲酸酯(959-26-2)红外图谱(IR2)

959-26-2

双(2-羟基乙基)对苯二甲酸酯(959-26-2)红外图谱(IR2)

分子式:C12H14O6

分子量: 254.24

InChI:InChI=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

Smiles:C1(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

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

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KBr disc

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nujol mull

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