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500-05-0

香豆酸(500-05-0)红外图谱(IR2)

产品名称:香豆酸

CAS:500-05-0

分子式:C6H4O4

分子量: 140.09

InChI:InChI=1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)

InChIKey: ORGPJDKNYMVLFL-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1641          
    2-pyrone-5-carboxylic acid
    C6H4O4              (Mass of molecular ion:    140)
    

       Source Temperature: 200 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       4.0
          25.0       2.0
          26.0       4.0
          27.0       3.9
          28.0       3.8
          29.0      14.6
          31.0       1.1
          33.0       3.2
          36.0       3.1
          37.0      18.3
          38.0      39.0
          39.0      67.6
          40.0      11.8
          41.0       2.9
          42.0      16.1
          43.0       3.1
          44.0       6.1
          45.0      11.7
          49.0       3.4
          50.0       6.2
          51.0       2.2
          53.0      10.2
          54.0       1.4
          55.0      14.7
          56.0       5.1
          65.0       2.5
          66.0      23.6
          67.0       7.3
          68.0       5.3
          69.0       3.3
          71.0       3.3
          83.0       2.6
          84.0      66.2
          85.0       3.2
          86.0       1.6
          93.0       1.6
          94.0      37.9
          95.0      25.2
          96.0       2.1
         111.0       3.2
         112.0     100.0
         113.0       5.8
         122.0       3.8
         123.0       9.4
         139.0       2.0
         140.0      62.2
         141.0       4.1
    

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KBr disc

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nujol mull

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