Hex-3-enedioic acid(29311-53-3) IR1

Product NameHex-3-enedioic acid

CAS 29311-53-3

Molecular FormulaC6H8O4

Molecular Weight144.13

InChIInChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+

InChIKey YHGNXQAFNHCBTK-OWOJBTEDSA-N

SmilesC(O)(=O)C/C=C/CC(O)=O

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IR1

IR2

Raman

Mass

MS-NW-1812          
trans-3-hexenedioic acid
C6H8O4              (Mass of molecular ion:    144)

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

      14.0       1.0
      15.0       2.2
      17.0       1.3
      18.0       6.0
      26.0      10.9
      27.0      70.5
      28.0      18.6
      29.0      70.3
      30.0       2.2
      31.0       5.0
      37.0       2.6
      38.0       5.2
      39.0      50.1
      40.0       4.1
      41.0      33.4
      42.0      15.6
      43.0      62.7
      44.0       6.2
      45.0      57.0
      46.0       2.5
      47.0       1.0
      49.0       2.1
      50.0      10.2
      51.0      13.8
      52.0       7.9
      53.0      46.0
      54.0      47.7
      55.0      90.6
      56.0      15.6
      57.0     100.0
      58.0      17.8
      60.0      15.8
      61.0       1.2
      67.0       2.0
      69.0       4.0
      70.0      12.3
      71.0       5.9
      72.0       1.0
      73.0       4.1
      79.0       1.0
      80.0      11.9
      81.0      20.7
      82.0       7.1
      83.0       1.7
      84.0      15.9
      85.0       5.4
      97.0       9.2
      98.0      18.7
      99.0      16.0
     100.0      10.7
     102.0       1.6
     108.0      84.0
     109.0       5.6
     126.0      52.2
     127.0       5.0
     144.0       1.2

KBr disc

nujol mull

4880 A,200 M,powder

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