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605-38-9

2,3-吡啶二甲酸二甲酯(605-38-9)质谱(MS)

分子式:C9H9NO4

分子量: 195.17

InChI:InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3

InChIKey: YLGIBCYHQZTFQL-UHFFFAOYSA-N

Smiles:C1(C(OC)=O)=NC=CC=C1C(OC)=O

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    Mass

    MS-IW-9343          
    dimethyl 2,3-pyridinedicarboxylate
    C9H9NO4             (Mass of molecular ion:    195)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      19.7
          18.0       1.9
          26.0       6.1
          27.0       2.9
          28.0       9.1
          29.0       3.9
          30.0       1.1
          37.0       1.3
          38.0       4.4
          38.5       1.0
          39.0      11.9
          42.0       5.3
          45.0       1.8
          49.0       2.8
          50.0      22.0
          51.0      18.1
          52.0       4.9
          52.5       2.7
          53.0      12.3
          54.0       1.1
          59.0      10.9
          64.0       2.1
          65.0      10.1
          66.0       4.1
          67.0       2.2
          75.0       3.3
          76.0      12.3
          77.0      23.6
          78.0      92.0
          79.0     100.0
          80.0      17.2
          81.0       1.2
          91.0       1.6
          92.0      10.0
          93.0      14.8
          94.0       1.4
         104.0       1.7
         105.0       9.9
         106.0      30.3
         107.0      91.1
         108.0       9.5
         120.0       1.9
         135.0       1.0
         136.0      88.3
         137.0      69.1
         138.0       5.9
         150.0       1.6
         164.0      74.8
         165.0      56.9
         166.0       5.5
         195.0       2.7
         196.0       1.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H9 N O4 0.041 g : 0.5 ml CDCl3
    dimethyl 2,3-pyridinedicarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.772 B 8.186 C 7.516 D 4.009 E 3.944

         Hz     ppm     Int.
    

       3509.28   8.781    102
       3507.57   8.777    102
       3504.52   8.769    103
       3502.81   8.765    102
       3276.61   8.199    117
       3274.90   8.195    113
       3268.68   8.179    125
       3266.97   8.175    117
       3010.13   7.532    113
       3005.25   7.520    116
       3002.08   7.512    107
       2997.31   7.500    109
       1602.17   4.009   1000
       1576.29   3.945    996
    

in CDCl3

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KBr disk

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nujol mull

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