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Back ChemicalBook Home>CAS DataBase List>94-26-8More Spectrum> Butylparaben(94-26-8) 13C NMR

Butylparaben(94-26-8) 13C NMR

Product NameButylparaben

CAS94-26-8

Molecular FormulaC11H14O3

Molecular Weight194.23

InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

InChIKey QFOHBWFCKVYLES-UHFFFAOYSA-N

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


  • Mass

    MS-NW-0368          
    butyl p-hydroxybenzoate
    C11H14O3            (Mass of molecular ion:    194)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       2.7
          29.0       4.4
          38.0       1.1
          39.0       8.7
          41.0       4.5
          53.0       1.3
          55.0       1.7
          56.0       3.9
          63.0       2.6
          64.0       2.1
          65.0      14.3
          92.0       2.2
          93.0      13.1
          94.0       1.4
          95.0       1.2
         120.0       1.5
         121.0      99.1
         122.0       9.2
         138.0     100.0
         139.0      17.4
         140.0       1.6
         151.0       1.4
         194.0      15.3
         195.0       1.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C11 H14 O3 0.044 g : 0.5 ml CDCl3
    butyl p-hydroxybenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.945 B 7.38 C 6.912 D 4.309 E 1.72 F 1.46 G 0.98

         Hz     ppm     Int.
    

        719.19   8.031     68
        716.44   8.000    707
        714.38   7.977    208
        709.69   7.925    212
        707.56   7.901    859
        704.88   7.871     98
        660.69   7.378    698
        625.88   6.989    103
        623.19   6.959   1000
        621.06   6.935    250
        616.38   6.883    213
        614.25   6.859    822
        611.56   6.829     85
        392.63   4.384    297
        386.25   4.313    789
        379.88   4.242    401
        169.63   1.895     38
        165.25   1.846     63
        163.19   1.823    109
        160.94   1.798     69
        158.94   1.775     62
        156.63   1.749    209
        154.50   1.726    131
        150.25   1.678    194
        149.50   1.670    196
        147.88   1.652    138
        146.19   1.633     87
        143.94   1.608    121
        142.56   1.592    120
        141.44   1.580    145
        140.81   1.573    147
        138.88   1.551     45
        136.63   1.526    113
        135.13   1.509    164
        133.38   1.490    168
        132.00   1.474     59
        130.81   1.461     70
        129.38   1.445    143
        126.63   1.414    155
        125.19   1.398     81
        124.25   1.388     52
        123.75   1.382     49
        122.94   1.373     61
        120.00   1.340    137
        118.94   1.329     77
        113.44   1.267     57
         93.00   1.039    433
         89.13   0.996     50
         86.50   0.966    902
         85.19   0.952    303
         80.19   0.896    134
         78.94   0.882    182
         77.25   0.863     87
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder



Butylparaben(94-26-8) 13C NMR Atlas of Related Products

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