Bisphenol A(80-05-7) IR1

Product NameBisphenol A

CAS 80-05-7

Molecular FormulaC15H16O2

Molecular Weight228.29

InChIInChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3

InChIKey IISBACLAFKSPIT-UHFFFAOYSA-N

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

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Mass

MS-NW-6834          
4,4'-isopropylidenediphenol
C15H16O2            (Mass of molecular ion:    228)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       1.4
      39.0       4.8
      41.0       3.2
      51.0       2.2
      55.0       2.3
      63.0       2.0
      65.0       5.6
      66.0       1.0
      76.0       1.3
      77.0       3.5
      79.0       1.0
      89.0       1.1
      90.0       1.6
      91.0       9.1
      92.0       1.0
      94.0       2.0
      95.0       1.4
      99.0       4.6
     105.0       1.0
     106.5       2.1
     107.0       4.3
     114.0       1.3
     115.0       1.9
     119.0      19.1
     120.0       2.7
     134.0       1.6
     135.0       4.3
     152.0       1.4
     165.0       2.0
     169.0       1.8
     181.0       1.0
     183.0       1.1
     195.0       1.0
     197.0       1.8
     198.0       1.4
     212.0       1.6
     213.0     100.0
     214.0      15.1
     215.0       1.6
     228.0      35.2
     229.0       5.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₆ O₂	0.025 g : 0.5 ml DMSO-d₆
4,4'-isopropylidenediphenol

    Assign.     Shift(ppm)

      A             9.16
      B             6.984
      C             6.646
      D             1.530

     Hz     ppm     Int.

   3662.57   9.165    626
   2798.92   7.004     57
   2795.87   6.996    498
   2793.73   6.991    188
   2789.15   6.979    175
   2787.02   6.974    573
   2783.97   6.967     67
   2663.27   6.665     68
   2660.22   6.657    595
   2658.08   6.652    202
   2653.50   6.640    165
   2651.52   6.635    527
   2648.32   6.627     57
    611.72   1.531   1000

in DMSO-d6