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2905-69-3

2,5-二氯苯甲酸甲酯(2905-69-3)核磁图(1HNMR)

分子式:C8H6Cl2O2

分子量: 205.04

InChI:InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

InChIKey: SPJQBGGHUDNAIC-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC(Cl)=CC=C1Cl

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    Mass

    MS-IW-0666          
    methyl 2,5-dichlorobenzoate
    C8H6Cl2O2           (Mass of molecular ion:    204)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       1.7
          50.0       2.4
          59.0       1.2
          73.0       1.7
          74.0       7.9
          75.0       7.5
          84.0       2.1
          85.0       1.4
         109.0      11.2
         110.0       4.1
         111.0       4.8
         112.0       1.4
         145.0      23.4
         146.0       1.9
         147.0      15.3
         148.0       1.1
         149.0       2.5
         169.0       1.7
         173.0     100.0
         174.0       7.8
         175.0      64.3
         176.0       5.1
         177.0      10.7
         203.0       1.7
         204.0      34.3
         205.0       4.2
         206.0      22.4
         207.0       2.2
         208.0       3.7
    

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KBr disc

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nujol mull

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