METHYLDIPHENYLPHOSPHINE OXIDE(2129-89-7) MS
Product NameMETHYLDIPHENYLPHOSPHINE OXIDE
CAS2129-89-7
Molecular FormulaC13H13OP
Molecular Weight216.22
InChIInChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey PEGCITODQASXKH-UHFFFAOYSA-N
SmilesP(=O)(C)(C1=CC=CC=C1)C1=CC=CC=C1
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MassMS-IW-8672 methyl(diphenyl)phosphine oxide C13H13OP (Mass of molecular ion: 216)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
39.0 1.1 47.0 4.2 50.0 1.6 51.0 8.4 65.0 1.7 77.0 18.5 78.0 2.3 91.0 4.6 95.0 2.4 98.0 1.2 99.0 2.0 107.0 1.6 107.5 4.2 108.0 1.6 109.0 1.4 121.0 2.5 123.0 2.6 125.0 1.4 128.0 1.0 139.0 7.1 152.0 3.7 153.0 2.9 154.0 2.9 165.0 1.0 171.0 1.2 173.0 2.1 183.0 4.8 199.0 3.3 200.0 1.4 201.0 76.2 202.0 10.1 215.0 100.0 216.0 48.8 217.0 6.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H13 O P 0.040 g : 0.5 ml CDCl3 methyl(diphenyl)phosphine oxide 
Assign. Shift(ppm)
A 7.731 B 7.51 C 7.47 D 2.019
Hz ppm Int.3102.54 7.764 39 3100.59 7.759 241 3099.12 7.755 311 3097.66 7.751 151 3094.60 7.744 101 3092.53 7.739 378 3090.94 7.735 341 3088.62 7.729 250 3087.28 7.725 323 3085.69 7.721 157 3082.64 7.714 102 3080.57 7.709 380 3078.98 7.705 320 3012.94 7.539 76 3011.47 7.536 84 3009.89 7.532 45 3008.79 7.529 46 3006.96 7.524 65 3005.62 7.521 208 3004.03 7.517 215 3001.46 7.511 80 3000.00 7.507 136 2998.41 7.503 302 2996.83 7.499 286 2995.24 7.495 114 2992.92 7.489 79 2991.70 7.486 231 2990.97 7.484 321 2989.62 7.481 203 2988.89 7.479 255 2988.04 7.477 315 2986.82 7.474 157 2985.23 7.470 215 2983.64 7.466 346 2983.03 7.465 307 2982.30 7.463 287 2980.83 7.459 338 2978.88 7.454 116 2976.81 7.449 149 2975.10 7.445 133 2973.88 7.442 154 2972.17 7.437 96 813.60 2.036 1000 800.42 2.003 992
in CDCl3
KBr disc
nujol mull
