(2Z,4Z)-2,5-dimethylhexa-2,4-dienedioic acid(20514-40-3) IR1

Product Name(2Z,4Z)-2,5-dimethylhexa-2,4-dienedioic acid

CAS 20514-40-3

Molecular FormulaC8H10O4

Molecular Weight170.1626

InChIInChI=1S/C8H10O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/b5-3-,6-4-

InChIKey HVMNFKUBOVSQCO-GLIMQPGKSA-N

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

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IR1

IR2

Raman

Mass

MS-NW-1635          
(Z),(Z)-2,5-dimethyl-2,4-hexadienedioic acid
C8H10O4             (Mass of molecular ion:    170)

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

      17.0       1.3
      18.0       6.0
      26.0       1.3
      27.0      11.0
      28.0       1.8
      29.0       3.1
      38.0       2.2
      39.0      14.5
      40.0       2.8
      41.0      17.6
      42.0       1.2
      43.0      20.9
      44.0       3.2
      45.0       5.4
      50.0       3.3
      51.0       7.1
      52.0       4.1
      53.0       8.8
      54.0       1.5
      55.0       4.3
      56.0       2.0
      57.0       1.5
      63.0       1.7
      65.0       2.2
      66.0       1.2
      67.0       3.2
      68.0       1.7
      69.0       7.7
      77.0      11.7
      78.0       4.1
      79.0      18.0
      80.0       3.2
      81.0       4.3
      82.0       1.5
      83.0       1.1
      95.0       6.0
      96.0       5.9
      97.0      14.4
      98.0       1.7
     107.0       9.7
     108.0       2.2
     109.0       1.2
     123.0       2.1
     124.0       9.1
     125.0     100.0
     126.0       8.2
     152.0       1.6
     155.0       1.0
     170.0       7.0

KBr disc

nujol mull

4880 A,200 M,powder

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