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609-99-4

3,5-二硝基水杨酸(609-99-4)Raman光谱

产品名称:3,5-二硝基水杨酸

CAS:609-99-4

分子式:C7H4N2O7

分子量: 228.12

InChI:InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)

InChIKey: LWFUFLREGJMOIZ-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1O

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    Mass

    MS-NW-4776          
    3,5-dinitrosalicylic acid
    C7H4N2O7            (Mass of molecular ion:    228)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       4.4
          28.0       3.9
          29.0       1.7
          30.0      19.3
          37.0       2.9
          38.0       3.6
          39.0       2.5
          44.0       2.2
          45.0       4.6
          46.0       1.1
          49.0       1.2
          50.0       8.0
          51.0       7.9
          52.0       3.2
          53.0      17.9
          54.0       1.5
          61.0       7.3
          62.0      24.5
          63.0      15.3
          64.0       5.2
          65.0       1.1
          66.0       7.5
          67.0       1.1
          68.0       1.5
          69.0       3.4
          74.0       1.3
          76.0       1.3
          77.0       4.2
          78.0       6.4
          79.0       5.4
          80.0       4.1
          89.0       1.1
          90.0      10.8
          91.0       7.5
          92.0       2.9
          94.0       2.3
          96.0       1.3
         105.0       1.3
         106.0       2.1
         107.0       2.0
         118.0      15.5
         119.0       3.3
         120.0       1.4
         123.0       1.5
         136.0       2.6
         137.0       1.3
         152.0      22.2
         153.0       1.6
         164.0       2.3
         165.0       1.8
         180.0       3.6
         194.0       7.1
         210.0     100.0
         211.0       9.5
         212.0       2.0
         228.0      48.5
         229.0       4.4
    

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in D2O

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KBr disc

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nujol mull

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