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7311-64-0

3-溴噻吩-2-甲酸(7311-64-0)核磁图(1HNMR)

产品名称:3-溴噻吩-2-甲酸

CAS:7311-64-0

分子式:C5H3BrO2S

分子量: 207.05

InChI:InChI=1S/C5H3BrO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)

InChIKey: VQQLWBUTTMNMFT-UHFFFAOYSA-N

Smiles:C1(C(O)=O)SC=CC=1Br

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    Mass

    MS2003-01959WA      
    3-bromo-2-thenoic acid
    C5H3BrO2S           (Mass of molecular ion:    206)
    

       Source Temperature: 245 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          18.0       1.7
          37.0       5.9
          38.0       6.8
          39.0       9.0
          41.0       2.1
          44.0       1.4
          45.0      16.6
          49.0       3.4
          50.0       2.3
          53.0       1.5
          55.0       3.2
          56.0       1.5
          57.0       3.7
          58.0       1.3
          69.0       2.8
          70.0       1.5
          71.0       1.4
          77.0       1.9
          79.0       1.1
          80.0       1.7
          81.0      13.5
          82.0      28.2
          83.0       7.6
          84.0       2.0
          98.0       2.5
         109.0       1.2
         117.0       4.7
         119.0       4.6
         135.0       2.9
         137.0       3.0
         161.0       3.7
         162.0       1.5
         163.0       3.8
         164.0       1.3
         178.0       1.8
         180.0       1.9
         189.0      86.3
         190.0       5.3
         191.0      88.4
         192.0       5.5
         193.0       4.0
         206.0      97.6
         207.0       6.1
         208.0     100.0
         209.0       6.2
         210.0       4.7
    

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KBr disk

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Nujol

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