EINECS 215-962-9(80656-14-0) IR2

Product NameEINECS 215-962-9

CAS 80656-14-0

Molecular FormulaC7H10O4

Molecular Weight158.1519

InChIInChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)

InChIKey ASJCSAKCMTWGAH-UHFFFAOYSA-N

SmilesC1(C(O)=O)CCCC1C(O)=O

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IR1

IR2

Mass

MS-KW-0673          
trans-(+-)-1,2-cyclopentanedicarboxylic acid
C7H10O4             (Mass of molecular ion:    158)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.8
      27.0       7.4
      28.0       3.4
      29.0       5.1
      31.0       1.2
      38.0       1.4
      39.0      14.4
      40.0       4.2
      41.0      23.2
      42.0       6.2
      43.0       6.7
      44.0       1.2
      45.0       8.5
      47.0       1.1
      53.0       3.0
      55.0      21.5
      56.0       1.6
      57.0       3.1
      59.0       1.3
      60.0       5.0
      65.0       4.7
      66.0       6.2
      67.0     100.0
      68.0      34.9
      69.0       4.8
      71.0       1.9
      73.0       8.1
      83.0       6.3
      84.0       2.9
      85.0       1.2
      86.0      11.5
      87.0       1.0
      94.0       2.2
      95.0      25.0
      96.0       2.7
      97.0       8.6
      99.0      30.3
     100.0       1.8
     101.0       4.2
     111.0       1.2
     112.0      80.9
     113.0      10.3
     114.0       6.5
     117.0       3.1
     122.0       2.8
     124.0       1.5
     140.0      24.8
     141.0       3.9

KBr disc

nujol mull

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