4-Methyl-1-phenyl-2-pentanone(5349-62-2) 13C NMR
Product Name4-Methyl-1-phenyl-2-pentanone
CAS5349-62-2
Molecular FormulaC12H16O
Molecular Weight176.25
InChIInChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey DTYGTEGDVPAKDA-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)C(=O)CC(C)C
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MassMS-NW-6054 4-methyl-1-phenyl-2-pentanone C12H16O (Mass of molecular ion: 176)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.6 28.0 1.0 29.0 13.8 39.0 8.0 41.0 23.3 42.0 1.7 43.0 11.8 50.0 1.1 51.0 2.9 55.0 1.2 57.0 100.0 58.0 4.6 63.0 2.9 65.0 11.3 69.0 2.2 77.0 1.3 84.0 1.1 85.0 91.8 86.0 5.5 89.0 2.7 90.0 1.9 91.0 38.2 92.0 6.0 105.0 1.6 119.0 1.4 176.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H16 O 0.05 ml : 0.5 ml CDCl3 4-methyl-1-phenyl-2-pentanone 
Assign. Shift(ppm)
A 7.305 B 7.244 C 7.185 D 3.642 E 2.309 F 2.124 G 0.862
Hz ppm Int.2929.69 7.331 49 2928.34 7.328 83 2926.76 7.324 38 2923.22 7.315 59 2921.51 7.311 212 2919.92 7.307 131 2915.41 7.295 82 2914.06 7.292 186 2911.99 7.287 47 2901.98 7.262 50 2900.63 7.258 98 2899.29 7.255 68 2895.63 7.246 37 2893.31 7.240 115 2890.75 7.234 32 2885.99 7.222 37 2875.85 7.196 166 2874.39 7.193 206 2872.31 7.188 54 2867.68 7.176 152 2867.19 7.175 144 1455.81 3.643 466 926.64 2.319 296 919.68 2.302 362 863.28 2.161 42 856.57 2.144 74 849.85 2.127 84 842.77 2.109 65 836.18 2.093 37 347.90 0.871 1000 341.19 0.854 971
in CDCl3
liquid film
