Benzylparaben(94-18-8) IR1

Product NameBenzylparaben

CAS 94-18-8

Molecular FormulaC14H12O3

Molecular Weight228.24

InChIInChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2

InChIKey MOZDKDIOPSPTBH-UHFFFAOYSA-N

SmilesC(OCC1=CC=CC=C1)(=O)C1=CC=C(O)C=C1

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Mass

MS-NW-0215          
benzyl p-hydroxybenzoate
C14H12O3            (Mass of molecular ion:    228)

   Source Temperature: 170 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      38.0       1.1
      39.0       8.5
      50.0       1.2
      51.0       2.9
      63.0       3.4
      64.0       1.8
      65.0      15.8
      77.0       2.7
      79.0       2.3
      89.0       3.0
      90.0       3.9
      91.0      49.7
      92.0       4.2
      93.0       6.5
      94.0       1.2
     107.0       3.9
     120.0       1.1
     121.0     100.0
     122.0       9.3
     183.0       4.5
     228.0      31.6
     229.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₂ O₃	0.043 g : 0.5 ml CDCl₃
benzyl p-hydroxybenzoate

    Assign.     Shift(ppm)

      A             7.960
      B          7.42 to 7.32
      C             6.96
      D             6.87
      E             5.337

     Hz     ppm     Int.

    718.00   8.017    420
    715.94   7.994    143
    711.25   7.942    129
    709.13   7.918    502
    661.31   7.384    731
    660.06   7.371    842
    657.13   7.338    292
    655.25   7.317    174
    652.38   7.285    115
    623.06   6.957    248
    620.81   6.932     89
    619.19   6.914    535
    617.06   6.890    163
    612.31   6.837    124
    610.25   6.814    418
    478.00   5.338   1000

in CDCl3