3588-17-8

trans,trans-Muconic acid(3588-17-8) IR2

Product Nametrans,trans-Muconic acid

CAS 3588-17-8

Molecular FormulaC6H6O4

Molecular Weight142.11

InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+

InChIKey TXXHDPDFNKHHGW-ZPUQHVIOSA-N

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

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trans,trans-Muconic acid(3588-17-8) IR2
Mass

MS-NW-2293          
trans,trans-2,4-hexadienedioic acid
C6H6O4              (Mass of molecular ion:    142)

   Source Temperature: 230 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       1.2
      16.0       1.3
      17.0       6.0
      18.0      30.6
      25.0       2.0
      26.0      16.3
      27.0      19.2
      28.0      21.1
      29.0       4.9
      37.0       3.0
      38.0       3.4
      39.0      15.5
      40.0       4.7
      41.0      25.9
      42.0       4.3
      43.0       5.7
      44.0      33.9
      45.0      13.8
      48.0       1.3
      49.0       4.5
      50.0      18.1
      51.0      28.3
      52.0      21.4
      53.0       8.5
      54.0       6.7
      55.0      11.7
      68.0      11.2
      69.0      15.4
      70.0       1.7
      71.0       1.0
      79.0      13.9
      80.0      16.1
      81.0       3.0
      82.0       2.2
      83.0       2.4
      95.0       2.3
      96.0      13.4
      97.0     100.0
      98.0       7.5
      99.0       1.4
     108.0       4.6
     124.0       4.8
     125.0       3.1
     142.0      26.3
     143.0       1.8