Tridecanoic acid(638-53-9) IR3

Product NameTridecanoic acid

CAS 638-53-9

Molecular FormulaC13H26O2

Molecular Weight214.34

InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)

InChIKey SZHOJFHSIKHZHA-UHFFFAOYSA-N

SmilesC(O)(=O)CCCCCCCCCCCC

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Tridecanoic acid(638-53-9) IR3
Mass

MS-NW-2245          
tridecanoic acid
C13H26O2            (Mass of molecular ion:    214)

   Source Temperature: 290 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       4.3
      27.0      12.4
      28.0       4.3
      29.0      23.1
      31.0       1.0
      32.0       1.1
      39.0       8.0
      40.0       1.5
      41.0      40.8
      42.0       9.6
      43.0      57.5
      44.0       2.0
      45.0       4.3
      53.0       2.6
      54.0       3.3
      55.0      36.3
      56.0      11.0
      57.0      56.5
      58.0       2.5
      59.0       3.2
      60.0      92.1
      61.0      18.9
      67.0       3.8
      68.0       3.9
      69.0      23.8
      70.0       8.4
      71.0      29.9
      72.0       1.7
      73.0     100.0
      74.0       8.2
      79.0       1.1
      81.0       3.0
      82.0       3.7
      83.0      14.3
      84.0       9.3
      85.0      24.3
      86.0       1.9
      87.0      15.1
      88.0       1.4
      95.0       2.0
      96.0       3.2
      97.0      10.7
      98.0      11.5
      99.0       9.3
     101.0       6.6
     102.0       2.4
     110.0       1.7
     111.0       5.5
     112.0       3.3
     113.0       4.2
     115.0      16.9
     116.0       3.1
     124.0       1.5
     125.0       2.6
     126.0       1.8
     129.0      34.1
     130.0       3.1
     143.0       3.9
     152.0       4.4
     154.0       3.5
     155.0       2.8
     157.0       4.0
     171.0      23.5
     172.0       2.8
     185.0       8.0
     186.0       1.2
     214.0      19.1
     215.0       2.7

90 MHz in CDCl3

Tridecanoic acid(638-53-9) IR3

¹H NMR	89.56 MHz
C₁₃ H₂₆ O₂	0.042 g : 0.5 ml CDCl₃
tridecanoic acid

    Assign.     Shift(ppm)

      A            11.
      B             2.33
      C             1.63
      D             1.26
      E             0.88

     Hz     ppm     Int.

    217.98   2.434     23
    216.87   2.422     26
    210.29   2.349     68
    202.69   2.264     57
    146.29   1.634     24
    145.95   1.630     24
    144.92   1.619     23
    127.32   1.422     23
    112.88   1.261   1000
     83.83   0.937     39
     82.29   0.919     34
     81.86   0.915     33
     81.18   0.907     32
     78.87   0.881    130
     72.89   0.814     28
     72.63   0.811     28

in CDCl3