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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>3438-16-2更多圖譜> 5-氯-2-甲氧基苯甲酸(3438-16-2)質(zhì)譜(MS)

3438-16-2

5-氯-2-甲氧基苯甲酸(3438-16-2)質(zhì)譜(MS)

產(chǎn)品名稱:5-氯-2-甲氧基苯甲酸

CAS:3438-16-2

分子式:C8H7ClO3

分子量: 186.59

InChI:InChI=1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey: HULDRQRKKXRXBI-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(Cl)=CC=C1OC

  • 圖譜
    Mass

    MS-KW-0172          
    5-chloro-2-methoxybenzoic acid
    C8H7ClO3            (Mass of molecular ion:    186)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.8
          18.0       3.4
          28.0       4.9
          29.0       2.0
          31.0       2.9
          36.0       2.1
          37.0       3.7
          38.0       4.7
          39.0       4.0
          44.0       1.3
          45.0       3.9
          47.0       1.7
          49.0       2.3
          50.0       9.2
          51.0      12.9
          52.0       2.1
          53.0       5.9
          55.0       1.3
          60.0       1.0
          61.0       5.7
          62.0      10.3
          63.0      32.2
          64.0       3.7
          65.0       2.1
          72.0       2.1
          73.0      11.0
          74.0       9.7
          75.0      21.0
          76.0       4.7
          77.0      37.2
          78.0       3.3
          79.0       5.8
          80.0       1.1
          84.0       1.4
          85.0       1.6
          87.0       3.1
          89.0       2.2
          91.0       2.5
          92.0       1.3
          93.0       1.4
          97.0       1.9
          98.0       9.6
          99.0      17.8
         100.0       4.0
         101.0       5.9
         105.0       2.3
         107.0       1.7
         108.0       2.3
         110.0       6.3
         111.0      23.6
         112.0       6.9
         113.0      35.0
         114.0       3.6
         115.0      22.0
         116.0       1.5
         117.0       4.7
         124.0       1.0
         126.0      26.5
         127.0      12.8
         128.0      10.7
         129.0       4.2
         133.0      11.7
         134.0       1.5
         136.0       1.1
         138.0       2.5
         139.0      88.3
         140.0      17.5
         141.0      36.1
         142.0       6.9
         143.0       7.1
         145.0       1.6
         151.0       1.5
         154.0      13.9
         155.0       6.3
         156.0       9.5
         157.0      64.7
         158.0       6.9
         159.0      20.8
         160.0       1.6
         167.0      12.9
         168.0       8.6
         169.0      33.5
         170.0       5.7
         171.0      12.3
         172.0       1.2
         186.0     100.0
         187.0       9.2
         188.0      32.4
         189.0       3.2
         200.0       1.0
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H7 Cl O3 0.036 g : 0.5 ml CDCl3
    5-chloro-2-methoxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.6 B 8.081 C 7.515 D 7.027 E 4.069

         Hz     ppm     Int.
    

       3231.05   8.085    213
       3228.30   8.078    208
       3009.64   7.531    130
       3006.90   7.524    128
       3000.79   7.509    144
       2998.05   7.502    141
       2812.65   7.038    181
       2803.80   7.016    164
       1626.28   4.070   1000
    

in CDCl3

  • 圖譜

Nujol

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