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350-29-8

3-氟-4-羟基苯甲酸(350-29-8)核磁图(13CNMR)

分子式:C7H5FO3

分子量: 156.11

InChI:InChI=1S/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)

InChIKey: IUSDEKNMCOUBEE-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(O)C(F)=C1

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    Mass

    MS-KW-0804          
    3-fluoro-4-hydroxybenzoic acid hydrate
    C7H5FO3 H2O         (Mass of molecular ion:    156)
    

       Source Temperature: 200 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          17.0       1.9
          18.0      10.4
          28.0       1.6
          31.0       2.5
          37.0       1.1
          38.0       1.4
          39.0       2.0
          45.0       1.8
          50.0       1.5
          51.0       2.7
          53.0       2.2
          55.0       3.1
          55.5       1.1
          56.0       1.5
          57.0      10.5
          61.0       1.7
          62.0       2.5
          63.0       4.9
          64.0       6.4
          69.5       2.3
          80.0       1.2
          81.0       2.9
          82.0       2.3
          83.0      16.2
          84.0       1.0
          99.0       1.3
         110.0       2.4
         111.0      25.9
         112.0       1.8
         127.0       1.0
         139.0     100.0
         140.0       7.9
         156.0      74.2
         157.0       6.0
    

in DMSO-d6

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in DMSO-d6

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KBr disk

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Nujol

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