PENTAERYTHRITOL TETRABENZOATE(4196-86-5) ¹H NMR

Product NamePENTAERYTHRITOL TETRABENZOATE

Molecular FormulaC33H28O8

Molecular Weight552.57

InChIInChI=1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2

InChIKey MINJAOUGXYRTEI-UHFFFAOYSA-N

SmilesC(OC(=O)C1=CC=CC=C1)C(COC(=O)C1=CC=CC=C1)(COC(=O)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1

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Mass

MS-IW-7469          
pentaerythritol tetrabenzoate
C33H28O8            (Mass of molecular ion:    552)

   Source Temperature: 180 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      51.0       1.2
      77.0      11.6
      78.0       1.7
      82.0       4.6
     105.0     100.0
     106.0       8.1
     158.0       3.4
     176.0      11.7
     177.0       1.4
     186.0       1.7
     204.0      11.9
     205.0       1.6
     227.0       3.3
     325.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₃ H₂₈ O₈	0.039 g : 0.5 ml CDCl₃
pentaerythritol tetrabenzoate

    Assign.     Shift(ppm)

      A             8.011
      B             7.547
      C             7.394
      D             4.720

     Hz     ppm     Int.

   3207.64   8.027     63
   3206.05   8.023    339
   3205.57   8.021    292
   3204.71   8.019    457
   3199.58   8.006    127
   3197.63   8.002    481
   3196.29   7.998    457
   3025.88   7.572     61
   3024.66   7.569    117
   3023.32   7.565     73
   3018.92   7.554     84
   3017.09   7.550    261
   3015.38   7.546    101
   3010.99   7.535    110
   3009.64   7.531    191
   3008.42   7.528    106
   2965.09   7.420     68
   2963.50   7.416    314
   2962.04   7.412    146
   2955.44   7.396    467
   2949.83   7.382     99
   2948.12   7.377    249
   1886.35   4.721   1000

in CDCl3