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Back ChemicalBook Home>CAS DataBase List>80-05-7More Spectrum> Bisphenol A(80-05-7) IR2

80-05-7

Bisphenol A(80-05-7) IR2

Product NameBisphenol A

CAS80-05-7

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

  • Bisphenol A(80-05-7) IR2
    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

  • Bisphenol A(80-05-7) IR2

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

  • Bisphenol A(80-05-7) IR2

KBr disc

  • Bisphenol A(80-05-7) IR2

nujol mull

  • Bisphenol A(80-05-7) IR2

  • Bisphenol A(80-05-7) IR2

Bisphenol A(80-05-7) IR2 Atlas of Related Products

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