Bisphenol A(80-05-7) Raman
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
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MassMS-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
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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
KBr disc
nujol mull
