4-Benzoylpyridine(14548-46-0) IR3
Product Name4-Benzoylpyridine
CAS14548-46-0
Molecular FormulaC12H9NO
Molecular Weight183.21
InChIInChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
InChIKey SKFLCXNDKRUHTA-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(C1C=CN=CC=1)=O
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MassMS-NW-0370 4-benzoylpyridine C12H9NO (Mass of molecular ion: 183)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
50.0 5.2 51.0 19.6 52.0 1.6 74.0 1.4 75.0 1.3 76.0 2.0 77.0 41.5 78.0 9.9 105.0 100.0 106.0 10.6 127.0 1.2 154.0 1.0 182.0 1.4 183.0 55.6 184.0 7.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H9 N O 0.037 g : 0.5 ml CDCl3 4-benzoylpyridine 
Assign. Shift(ppm)
A 8.816 B 7.826 C 7.647 D 7.584 E 7.519
Hz ppm Int.3529.42 8.832 48 3526.25 8.824 843 3524.66 8.820 524 3521.97 8.813 503 3520.26 8.809 877 3133.79 7.842 95 3132.08 7.838 452 3131.47 7.836 393 3130.86 7.835 570 3125.73 7.822 186 3123.78 7.817 631 3122.44 7.813 590 3066.16 7.673 85 3064.82 7.669 159 3063.48 7.666 97 3059.20 7.655 115 3057.37 7.651 342 3055.54 7.646 139 3051.27 7.635 156 3049.93 7.632 272 3048.58 7.629 151 3034.06 7.592 1000 3032.35 7.588 605 3029.66 7.581 569 3028.08 7.577 979 3014.40 7.543 115 3012.82 7.539 446 3011.23 7.535 221 3009.03 7.530 53 3004.88 7.519 595 3003.66 7.516 237 2999.15 7.505 131 2997.56 7.501 292 2996.95 7.499 232
in CDCl3
CCl4 solution
KBr disc
nujol mull
