6940-58-5

1,3,5-PENTANETRICARBOXYLIC ACID(6940-58-5) ¹H NMR

Product Name1,3,5-PENTANETRICARBOXYLIC ACID

CAS 6940-58-5

Molecular FormulaC8H12O6

Molecular Weight204.18

InChIInChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)

InChIKey ROTJZTYLACIJIG-UHFFFAOYSA-N

SmilesC(C(O)=O)CC(C(O)=O)CCC(O)=O

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¹HNMR

IR1

IR2

1,3,5-PENTANETRICARBOXYLIC ACID(6940-58-5) <sup>1</sup>H NMR
Mass

MS-NW-1940          
1,3,5-pentanetricarboxylic acid
C8H12O6             (Mass of molecular ion:    204)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       1.4
      15.0       2.3
      17.0       4.2
      18.0      17.3
      26.0       5.6
      27.0      37.1
      28.0      11.6
      29.0      20.4
      30.0       1.0
      31.0       4.3
      37.0       1.5
      38.0       4.1
      39.0      44.6
      40.0       9.1
      41.0      53.1
      42.0      58.8
      43.0      42.6
      44.0      11.4
      45.0      29.7
      46.0       1.0
      50.0       2.4
      51.0       4.1
      52.0       2.4
      53.0      15.1
      54.0      24.8
      55.0      81.2
      56.0      11.5
      57.0      13.9
      58.0      26.3
      59.0       3.2
      60.0      37.5
      61.0       1.5
      63.0       1.1
      65.0       2.8
      66.0       2.4
      67.0      17.6
      68.0      18.7
      69.0       6.6
      70.0      15.2
      71.0      22.2
      72.0       3.0
      73.0      16.1
      74.0       1.3
      79.0       1.0
      81.0       9.5
      82.0       7.6
      83.0      28.0
      84.0       5.4
      85.0      10.5
      86.0      88.8
      87.0       4.6
      94.0       2.8
      95.0       6.4
      96.0       7.3
      97.0       5.3
      98.0       6.6
      99.0      22.5
     100.0      15.1
     101.0       7.0
     109.0       1.8
     111.0       1.0
     112.0      36.9
     113.0       9.7
     114.0     100.0
     115.0       6.3
     116.0       3.6
     122.0       9.1
     123.0       5.2
     124.0       3.0
     125.0       1.1
     127.0      17.3
     128.0       1.2
     130.0      13.1
     131.0       1.0
     132.0       1.5
     140.0      20.5
     141.0       4.7
     142.0       2.3
     158.0      12.2
     159.0       1.1
     168.0      15.4
     169.0       6.5
     186.0       1.8