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13290-96-5

5-硝基间苯二甲酸二甲酯(13290-96-5)Raman光谱

分子式:C10H9NO6

分子量: 239.18

InChI:InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3

InChIKey: GGTSJKFPGKFLCZ-UHFFFAOYSA-N

Smiles:C1(C(OC)=O)=CC([N+]([O-])=O)=CC(C(OC)=O)=C1

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    Mass

    MS-NW-9917          
    dimethyl 5-nitroisophthalate
    C10H9NO6            (Mass of molecular ion:    239)
    

       Source Temperature: 180 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       1.6
          45.0       1.2
          59.0       2.0
          63.0       1.3
          74.0       4.8
          75.0      10.2
          76.0       1.4
         102.0       4.2
         103.0       1.9
         119.0       2.2
         133.0       4.9
         134.0      11.1
         135.0       1.8
         147.0       5.1
         148.0       1.5
         149.0       1.4
         150.0       2.2
         161.0       2.1
         162.0      21.3
         163.0       2.6
         178.0       2.4
         179.0       1.7
         180.0       3.5
         193.0       4.4
         194.0       4.0
         208.0     100.0
         209.0      18.5
         210.0       2.5
         238.0       6.0
         239.0      33.5
         240.0       4.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H9 N O6 0.034 g : 0.5 ml CDCl3
    dimethyl 5-nitroisophthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.025 B 8.977 C 4.035

         Hz     ppm     Int.
    

       3607.79   9.028    237
       3606.26   9.024    259
       3589.17   8.981     84
       3587.65   8.977    124
       3586.12   8.974     60
       1612.55   4.035   1000
    

in CDCl3

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KBr disc

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nujol mull

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