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583-06-2

3-苯甲酰丙烯酸(583-06-2)核磁图(13CNMR)

产品名称:3-苯甲酰丙烯酸

CAS:583-06-2

分子式:C10H8O3

分子量: 176.17

InChI:InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)

InChIKey: PLPDHGOODMBBGN-UHFFFAOYSA-N

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

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    Mass

    MS-IW-3917          
    3-benzoylacrylic acid
    C10H8O3             (Mass of molecular ion:    176)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.6
          27.0       3.1
          39.0       1.2
          45.0       2.1
          50.0       5.7
          51.0      17.5
          52.0       1.4
          53.0       2.5
          74.0       2.3
          75.0       1.7
          76.0       2.4
          77.0      51.2
          78.0       4.4
          81.0       1.5
          99.0       4.0
         102.0       1.3
         103.0       3.3
         105.0     100.0
         106.0       8.2
         130.0       5.8
         131.0       7.7
         132.0       3.6
         147.0       3.6
         148.0       3.3
         159.0       1.6
         176.0      37.9
         177.0       4.3
    

in CDCl3

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KBr disc

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nujol mull

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