26311-45-5

4-Pentylbenzoic acid(26311-45-5) ¹H NMR

Product Name4-Pentylbenzoic acid

CAS 26311-45-5

Molecular FormulaC12H16O2

Molecular Weight192.25

InChIInChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)

InChIKey CWYNKKGQJYAHQG-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=C(CCCCC)C=C1

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4-Pentylbenzoic acid(26311-45-5) <sup>1</sup>H NMR
Mass

MS2002-01376WA      
4-amylbenzoic acid
C12H16O2            (Mass of molecular ion:    192)

   Source Temperature: 250 °C
   Sample Temperature: 270 °C
   Reservoir, 70 eV

      27.0       7.4
      29.0      16.2
      39.0       8.3
      40.0       1.0
      41.0      18.8
      42.0       1.8
      43.0       1.6
      45.0       1.3
      50.0       2.1
      51.0       5.5
      52.0       1.4
      53.0       2.3
      55.0       2.7
      57.0      10.8
      62.0       1.1
      63.0       4.8
      64.0       2.0
      65.0       5.9
      75.0       1.4
      76.0       1.5
      77.0      16.4
      78.0       3.5
      79.0       5.2
      89.0       8.5
      90.0      12.6
      91.0      61.7
      92.0      55.6
      93.0       4.5
     102.0       1.5
     103.0       5.7
     104.0       1.7
     105.0       9.4
     106.0       1.2
     107.0      24.8
     108.0       2.0
     115.0       4.5
     116.0       1.1
     117.0       2.6
     118.0       9.7
     119.0       4.3
     122.0       1.6
     123.0       1.5
     131.0       4.0
     135.0      79.8
     136.0     100.0
     137.0       8.9
     138.0       1.0
     147.0       7.8
     148.0       1.8
     149.0       7.3
     150.0       1.4
     163.0       2.8
     175.0       2.5
     191.0       1.1
     192.0      60.4
     193.0       8.2