1-Phenyldecane-1,3-dione(13702-35-7) MS
Product Name1-Phenyldecane-1,3-dione
CAS13702-35-7
Molecular FormulaC15H12O
Molecular Weight208.26
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MassMS-NW-7862 3,3-diphenylacrylaldehyde C15H12O (Mass of molecular ion: 208)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.6 39.0 3.0 50.0 2.8 51.0 11.0 52.0 2.6 63.0 4.2 64.0 1.1 65.0 1.9 74.0 1.5 75.0 3.5 76.0 9.6 77.0 14.1 78.0 4.3 79.0 1.4 82.5 1.5 87.0 1.2 88.0 3.0 89.0 9.2 89.5 1.6 91.0 1.2 101.0 1.1 102.0 32.7 103.0 8.4 104.0 3.8 105.0 9.4 106.0 2.7 115.0 2.5 121.0 1.6 126.0 1.6 127.0 1.2 128.0 1.0 130.0 1.9 131.0 10.4 132.0 1.6 134.0 9.9 135.0 2.1 139.0 2.1 150.0 2.0 151.0 5.5 152.0 9.4 153.0 1.8 162.0 1.0 163.0 12.1 164.0 2.2 165.0 11.6 166.0 2.0 167.0 2.1 175.0 1.0 176.0 10.3 177.0 8.2 178.0 44.1 179.0 33.3 180.0 10.0 181.0 1.3 183.0 1.3 207.0 100.0 208.0 96.9 209.0 14.9 210.0 1.4
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C15 H12 O 0.040 g : 0.5 ml CDCl3 3,3-diphenylacrylaldehyde 
Assign. Shift(ppm)
A 9.532 B *1 7.48 C *2 7.44 D *1 7.41 E *2 7.37 F *3 7.36 G *3 7.31 J 6.603 ASSIGNED BY H-H COSY AND LAOCN PROGRAM.
Hz ppm Int.3813.78 9.543 660 3805.69 9.523 668 2997.74 7.501 56 2996.22 7.498 42 2995.00 7.495 34 2990.88 7.484 146 2989.81 7.482 173 2987.21 7.475 119 2985.53 7.471 246 2983.86 7.467 442 2982.64 7.464 408 2982.03 7.462 382 2980.96 7.459 232 2978.36 7.453 132 2976.99 7.449 219 2975.62 7.446 432 2974.85 7.444 324 2973.63 7.441 118 2972.72 7.439 98 2971.80 7.437 117 2971.04 7.435 113 2969.36 7.430 189 2968.14 7.427 211 2966.61 7.424 207 2965.09 7.420 120 2964.63 7.419 117 2962.49 7.413 152 2961.88 7.412 155 2959.59 7.406 157 2958.07 7.402 34 2956.70 7.399 57 2955.17 7.395 125 2954.10 7.392 133 2952.58 7.388 104 2949.37 7.380 117 2946.93 7.374 590 2946.17 7.372 485 2944.79 7.369 271 2943.57 7.366 607 2940.98 7.359 1000 2940.06 7.357 582 2937.93 7.352 95 2936.25 7.348 67 2935.79 7.346 67 2935.03 7.345 107 2932.43 7.338 41 2927.25 7.325 67 2924.50 7.318 423 2923.13 7.315 426 2922.36 7.313 227 2921.45 7.311 163 2918.85 7.304 128 2916.87 7.299 300 2915.04 7.294 312 2914.12 7.292 97 2643.13 6.614 508 2635.04 6.594 511
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1H NMR 89.56 MHz C15 H12 O 0.046 g : 0.5 ml CDCl3 3,3-diphenylacrylaldehyde Assign. Shift(ppm)
A 9.529 B 7.49 to 7.24 C 6.599 J(A,C)=7.9HZ
Hz ppm Int.857.50 9.575 217 849.56 9.486 228 674.94 7.537 28 671.69 7.500 161 668.88 7.469 189 667.81 7.457 186 665.63 7.433 243 664.88 7.424 272 662.13 7.394 344 660.19 7.372 1000 658.31 7.351 339 656.00 7.325 181 654.94 7.313 153 653.38 7.296 113 653.25 7.294 113 651.81 7.278 128 650.69 7.266 79 647.75 7.233 59 594.94 6.643 194 586.94 6.554 184
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
