1142-39-8

4-Hexyloxybenzoic acid(1142-39-8) IR2

Product Name4-Hexyloxybenzoic acid

CAS 1142-39-8

Molecular FormulaC13H18O3

Molecular Weight222.28

InChIInChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)

InChIKey HBQUXMZZODHFMJ-UHFFFAOYSA-N

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

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¹HNMR

IR1

IR2

4-Hexyloxybenzoic acid(1142-39-8) IR2
Mass

MS2003-01615WA      
p-hexyloxybenzoic acid
C13H18O3            (Mass of molecular ion:    222)

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

      27.0       3.0
      29.0       4.1
      39.0       3.9
      41.0       9.1
      42.0       2.8
      43.0      23.5
      44.0       1.1
      51.0       1.1
      53.0       1.4
      55.0       7.3
      56.0       4.1
      57.0       3.1
      63.0       1.4
      64.0       1.0
      65.0       7.1
      69.0       3.5
      76.0       1.3
      77.0       1.3
      81.0       2.1
      84.0       4.5
      85.0       2.6
      92.0       1.0
      93.0       2.8
      95.0       1.7
     121.0      28.1
     122.0       2.3
     138.0     100.0
     139.0      22.9
     140.0       2.1
     151.0       2.4
     222.0      25.3
     223.0       3.7