Product NameBis(4-hydroxyphenyl) Sulfone
CAS80-09-1
Molecular FormulaC12H10O4S
Molecular Weight250.27
InChIInChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey VPWNQTHUCYMVMZ-UHFFFAOYSA-N
SmilesS(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(=O)=O
Mass
MS-NW-1165 4,4'-sulfonyldiphenol C12H10O4S (Mass of molecular ion: 250)
Source Temperature: 220 °C Sample Temperature: 210 °C Direct, 75 eV
18.0 3.0 27.0 3.4 28.0 5.8 29.0 1.1 38.0 4.5 39.0 31.4 40.0 1.5 45.0 2.8 50.0 2.4 51.0 3.5 52.0 1.1 53.0 5.8 55.0 4.1 62.0 3.5 63.0 11.5 64.0 5.4 65.0 34.0 66.0 3.8 67.0 1.0 69.0 1.3 74.0 1.1 75.0 1.4 77.0 1.4 81.0 9.8 82.0 1.6 85.0 3.6 92.0 1.6 93.0 31.9 94.0 27.1 95.0 2.1 97.0 2.5 109.0 22.8 110.0 81.6 111.0 5.5 113.0 3.2 115.0 1.2 124.0 1.4 125.0 3.2 126.0 1.3 127.0 1.5 128.0 2.4 129.0 1.0 131.0 1.8 139.0 1.2 141.0 86.7 142.0 51.8 143.0 7.7 144.0 2.7 157.0 8.2 158.0 1.0 185.0 1.8 186.0 4.9 249.0 1.8 250.0 100.0 251.0 14.2 252.0 6.1
400 MHz in DMSO-d6
90 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C12 H10 O4 S | 0.036 g : 0.5 ml DMSO-d6 |
4,4'-sulfonyldiphenol |
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Assign. Shift(ppm) |
Hz ppm Int.
4232.02 10.590 318 3109.74 7.782 23 3109.28 7.781 23 3100.89 7.760 157 3097.99 7.752 939 3090.97 7.735 369 3089.29 7.730 976 2778.17 6.952 168 2775.42 6.945 1000 2773.74 6.941 382 2768.55 6.928 387 2766.72 6.923 941 2763.52 6.915 207
1H NMR | 89.56 MHz |
C12 H10 O4 S | 0.051 g : 0.5 ml DMSO-d6 |
4,4'-sulfonyldiphenol |
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Assign. Shift(ppm) |
Hz ppm Int.
946.07 10.564 271 701.29 7.831 107 698.44 7.799 786 696.46 7.777 263 694.04 7.750 103 691.63 7.723 309 689.58 7.700 1000 686.72 7.668 156 681.45 7.609 26 628.64 7.020 137 625.78 6.988 979 623.73 6.965 297 621.17 6.936 101 618.97 6.912 277 616.92 6.889 787 614.06 6.857 124 609.81 6.809 31 609.52 6.806 29 609.08 6.801 25 608.79 6.798 25
DMSO-d6
KBr disc
nujol mull
Bis(4-hydroxyphenyl) Sulfone(80-09-1) IR2 Atlas of Related Products
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