Product Name4-chlorophenyl pyridin-3-yl ketone
CAS14548-44-8
Molecular FormulaC12H8ClNO
Molecular Weight217.65
InChI
InChIKey
Smiles
Mass
MS-NW-7446 p-chlorophenyl 3-pyridyl ketone C12H8ClNO (Mass of molecular ion: 217)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
50.0 6.4 51.0 12.0 52.0 1.5 63.0 1.2 74.0 2.8 75.0 13.5 76.0 3.7 77.0 1.7 78.0 17.2 79.0 1.1 85.0 1.4 106.0 14.6 107.0 1.1 111.0 26.4 112.0 2.0 113.0 8.7 126.0 1.2 127.0 1.9 139.0 62.9 140.0 5.1 141.0 20.7 142.0 1.6 153.0 1.2 154.0 3.4 182.0 100.0 183.0 13.7 184.0 1.1 216.0 2.9 217.0 15.2 218.0 3.2 219.0 5.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C12 H8 Cl N O | 0.037 g : 0.5 ml CDCl3 |
p-chlorophenyl 3-pyridyl ketone |
Assign. Shift(ppm) |
Hz ppm Int.
803.94 8.977 273 803.31 8.970 289 801.88 8.954 306 801.06 8.945 280 798.75 8.919 58 792.00 8.844 215 790.19 8.824 233 787.13 8.789 239 785.38 8.770 242 729.19 8.142 169 727.38 8.122 213 727.00 8.118 194 725.19 8.098 159 721.25 8.054 220 719.50 8.034 273 719.06 8.029 256 717.31 8.010 194 701.81 7.837 96 699.75 7.814 521 697.63 7.790 218 696.00 7.772 68 695.38 7.765 70 694.94 7.760 75 693.13 7.740 316 690.94 7.715 957 688.94 7.693 201 686.75 7.669 52 686.19 7.662 51 675.94 7.548 220 674.00 7.526 1000 672.13 7.505 405 671.81 7.502 417 669.63 7.477 98 667.31 7.451 424 666.44 7.442 334 665.69 7.433 438 665.13 7.427 554 664.31 7.418 261 663.38 7.408 232 659.44 7.364 173 658.50 7.353 163
in CDCl3
KBr disc
nujol mull
4-chlorophenyl pyridin-3-yl ketone (14548-44-8) 1H NMR Atlas of Related Products
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