500-05-0

Coumalic acid(500-05-0) IR2

Product NameCoumalic acid

CAS 500-05-0

Molecular FormulaC6H4O4

Molecular Weight140.09

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

InChIKey ORGPJDKNYMVLFL-UHFFFAOYSA-N

SmilesC1(=O)OC=C(C(O)=O)C=C1

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Coumalic acid(500-05-0) IR2
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