Diphenyl sulfone(127-63-9) IR1
Product NameDiphenyl sulfone
CAS127-63-9
Molecular FormulaC12H10O2S
Molecular Weight218.27
InChIInChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey KZTYYGOKRVBIMI-UHFFFAOYSA-N
SmilesS(C1=CC=CC=C1)(C1=CC=CC=C1)(=O)=O
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MassMS-NW-0207 diphenyl sulfone C12H10O2S (Mass of molecular ion: 218)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
27.0 1.6 39.0 3.1 50.0 6.4 51.0 23.1 52.0 1.5 53.0 1.2 63.0 1.1 65.0 3.9 74.0 2.0 75.0 1.7 76.0 2.4 77.0 34.2 78.0 3.2 81.0 1.6 97.0 11.4 109.0 1.5 125.0 100.0 126.0 7.6 127.0 5.0 151.0 1.1 152.0 4.5 153.0 3.6 154.0 1.3 217.0 1.8 218.0 37.7 219.0 5.2 220.0 2.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C12 H10 O2 S 0.033 g : 0.5 ml CDCl3 diphenyl sulfone 
Assign. Shift(ppm)
A 7.953 B 7.555 C 7.502
Hz ppm Int.3185.30 7.971 145 3182.98 7.965 682 3181.76 7.962 787 3180.18 7.958 459 3176.88 7.950 313 3174.80 7.944 1000 3173.34 7.941 717 3030.52 7.583 90 3029.30 7.580 159 3027.95 7.577 112 3024.66 7.569 135 3021.85 7.562 509 3019.53 7.556 195 3015.99 7.547 314 3014.65 7.544 492 3013.18 7.540 280 3006.71 7.524 191 3004.52 7.518 744 3003.05 7.515 373 3001.10 7.510 140 2998.41 7.503 518 2996.83 7.499 929 2991.46 7.486 203 2989.87 7.482 387 2988.40 7.478 246
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1H NMR 89.56 MHz C12 H10 O2 S 0.045 g : 0.5 ml CDCl3 diphenyl sulfone Assign. Shift(ppm)
A 7.942 B 7.56 to 7.41
Hz ppm Int.716.69 8.003 438 715.06 7.985 403 714.63 7.980 413 713.00 7.962 144 711.31 7.943 316 710.88 7.938 285 710.00 7.928 414 709.19 7.919 254 707.63 7.902 390 706.94 7.894 645 704.63 7.868 125 679.69 7.590 120 678.38 7.575 173 678.06 7.572 174 676.88 7.558 202 675.31 7.541 1000 673.69 7.523 931 670.19 7.484 458 668.94 7.470 326 668.19 7.461 479 666.75 7.445 101 665.19 7.428 89 664.31 7.418 80 663.69 7.411 141
in CDCl3
CCl4 solution
KBr disc
nujol mull
ANION RADICAL, REDUCTION WITH K IN DME
