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99-27-4

5-氨基间苯二甲酸二甲酯(99-27-4)红外图谱(IR1)

分子式:C10H11NO4

分子量: 209.2

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

InChIKey: DEKPYXUDJRABNK-UHFFFAOYSA-N

Smiles:C1(C(OC)=O)=CC(N)=CC(C(OC)=O)=C1

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    Mass

    MS-IW-2507          
    dimethyl 5-aminoisophthalate
    C10H11NO4           (Mass of molecular ion:    209)
    

       Source Temperature: 180 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          15.0       1.0
          28.0       1.0
          41.0       1.8
          45.5       1.9
          52.0       2.4
          59.0       1.2
          59.5       2.2
          62.0       1.8
          63.0       5.5
          64.0       2.8
          65.0       2.9
          73.5       2.3
          79.0       1.8
          89.0       1.6
          90.0       2.8
          91.0       6.0
          92.0       2.7
          93.0       1.3
         107.0       3.0
         118.0       2.6
         119.0       1.7
         120.0       4.8
         122.0      15.8
         123.0       1.4
         135.0       8.8
         136.0       1.0
         149.0       1.2
         150.0      30.3
         151.0      12.8
         152.0       1.2
         164.0       1.2
         178.0      79.4
         179.0       8.7
         180.0       1.0
         208.0       1.0
         209.0     100.0
         210.0      11.6
         211.0       1.5
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C10 H11 N O4 0.045 g : 0.5 ml DMSO-d6
    dimethyl 5-aminoisophthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.686 B 7.451 C 5.7 D 3.866

         Hz     ppm     Int.
    

        689.56   7.700     76
        688.06   7.683    118
        686.56   7.666     69
        668.06   7.460    261
        666.56   7.443    202
        519.75   5.804     27
        514.81   5.749    120
        352.75   3.939     23
        346.31   3.867   1000
        341.63   3.815     32
    

in DMSO-d6

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KBr disc

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nujol mull

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