methyl (4-phenyl-4-piperidyl) ketone(34798-80-6) IR2
Product Namemethyl (4-phenyl-4-piperidyl) ketone
CAS34798-80-6
Molecular FormulaC13H17NO
Molecular Weight203.28
InChIInChI=1S/C13H17NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3
InChIKey RKHWHRHOEKYEJW-UHFFFAOYSA-N
SmilesC(=O)(C1(C2=CC=CC=C2)CCNCC1)C
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MassMS-NW-8849 4-acetyl-4-phenylpiperidine C13H17NO (Mass of molecular ion: 203)
Source Temperature: 280 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.0 17.0 1.2 18.0 6.3 27.0 1.7 28.0 6.0 29.0 2.0 30.0 12.5 39.0 1.7 41.0 2.3 42.0 100.0 43.0 28.8 44.0 13.3 51.0 2.6 53.0 3.2 55.0 1.2 56.0 65.2 57.0 78.1 58.0 5.9 63.0 1.0 65.0 2.4 70.0 1.2 77.0 8.5 78.0 1.9 79.0 1.2 80.0 1.2 82.0 3.9 83.0 1.6 86.0 1.0 89.0 1.0 91.0 20.8 92.0 2.2 99.0 1.8 102.0 2.1 103.0 12.4 104.0 2.0 105.0 4.9 106.0 1.0 115.0 8.0 116.0 4.3 117.0 3.8 118.0 1.7 119.0 1.6 127.0 1.7 128.0 4.2 129.0 5.4 130.0 3.4 131.0 8.4 132.0 2.2 133.0 1.5 143.0 2.3 144.0 1.9 145.0 2.1 146.0 1.2 147.0 2.5 148.0 8.2 158.0 3.7 159.0 1.9 160.0 31.4 161.0 5.0 186.0 4.2 188.0 4.8 202.0 1.6 203.0 31.4 204.0 5.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H17 N O 0.037 g : 0.5 ml CDCl3 4-acetyl-4-phenylpiperidine 
Assign. Shift(ppm)
A 7.355 B 7.308 C 7.267 E 2.99 F 2.81 G 2.40 J 2.33 K 1.97 L 1.906
Hz ppm Int.2949.58 7.381 41 2948.73 7.379 60 2942.14 7.362 113 2941.04 7.360 151 2940.31 7.358 125 2935.91 7.347 61 2933.96 7.342 174 2924.19 7.317 161 2922.61 7.313 208 2916.38 7.298 131 2915.53 7.296 107 2911.38 7.285 66 2910.03 7.282 69 2908.45 7.278 41 2905.03 7.269 46 2902.95 7.264 107 2895.87 7.247 43 1202.27 3.009 38 1189.82 2.978 53 968.02 2.423 46 954.35 2.388 55 932.62 2.334 49 801.15 2.005 34 797.61 1.996 36 787.60 1.971 59 784.42 1.963 41 777.47 1.946 31 774.17 1.938 30 773.56 1.936 30 761.72 1.906 1000
in CDCl3
KBr disc
nujol mull
