Phenyl tribromomethyl sulfone(17025-47-7) MS
Product NamePhenyl tribromomethyl sulfone
CAS17025-47-7
Molecular FormulaC7H5Br3O2S
Molecular Weight392.89
InChIInChI=1S/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChIKey DWWMSEANWMWMCB-UHFFFAOYSA-N
SmilesC1(S(C(Br)(Br)Br)(=O)=O)=CC=CC=C1
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MassMS-NW-9365 phenyl tribromomethyl sulfone C7H5Br3O2S (Mass of molecular ion: 390)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 1.2 27.0 1.8 38.0 1.3 39.0 4.6 45.0 1.5 50.0 11.4 51.0 39.2 52.0 1.8 53.0 2.3 62.0 1.6 63.0 3.4 65.0 1.5 69.0 1.2 74.0 3.3 75.0 2.5 76.0 3.1 77.0 100.0 78.0 6.6 81.0 1.4 82.0 1.0 89.0 6.4 91.0 1.9 93.0 1.9 97.0 9.2 109.0 1.0 125.0 88.3 126.0 6.6 127.0 4.3 141.0 63.0 142.0 4.8 143.0 3.2 156.0 1.9 158.0 1.9 170.0 2.7 172.0 4.2 174.0 2.1 247.0 1.6 249.0 18.3 251.0 47.4 253.0 44.4 255.0 14.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H5 Br3 O2 S 0.045 g : 0.5 ml CDCl3 phenyl tribromomethyl sulfone 
Assign. Shift(ppm)
A 8.258 B 7.807 C 7.645
Hz ppm Int.3307.37 8.276 114 3305.54 8.272 803 3304.32 8.269 907 3303.59 8.267 453 3302.61 8.264 307 3300.78 8.260 53 3298.95 8.255 263 3297.00 8.250 1000 3295.65 8.247 876 3129.39 7.831 137 3128.17 7.828 260 3126.95 7.825 147 3122.31 7.813 176 3120.61 7.809 555 3119.02 7.805 202 3114.38 7.793 224 3113.16 7.790 400 3111.94 7.787 212 3064.58 7.669 129 3062.87 7.664 695 3061.28 7.660 286 3055.30 7.645 813 3054.69 7.644 945 3048.95 7.630 211 3047.12 7.625 511 3045.53 7.621 120
in CDCl3
KBr disc
nujol mull
