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637-44-5

苯丙炔酸(637-44-5)核磁图(13CNMR)

产品名称:苯丙炔酸

CAS:637-44-5

分子式:C9H6O2

分子量: 146.14

InChI:InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)

InChIKey: XNERWVPQCYSMLC-UHFFFAOYSA-N

Smiles:C(O)(=O)C#CC1=CC=CC=C1

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    Mass

    MS-NW-2601          
    phenylpropiolic acid
    C9H6O2              (Mass of molecular ion:    146)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          37.0       1.0
          38.0       1.0
          39.0       2.7
          44.0      23.4
          49.0       1.1
          50.0       9.2
          51.0       7.6
          52.0       5.7
          60.5       1.2
          61.0       2.4
          62.0       5.7
          73.0       1.1
          74.0       7.8
          75.0       6.8
          76.0      21.2
          77.0       1.5
          87.0       1.1
          98.0       1.4
         101.0       2.2
         102.0     100.0
         103.0       9.0
    

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in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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