Valerophenone(1009-14-9) IR1
Product NameValerophenone
CAS1009-14-9
Molecular FormulaC11H14O
Molecular Weight162.23
InChIInChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XKGLSKVNOSHTAD-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(=O)CCCC
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MassMS-NW-5218 valerophenone C11H14O (Mass of molecular ion: 162)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.0 28.0 3.3 29.0 4.1 39.0 3.0 41.0 3.1 50.0 3.4 51.0 12.6 52.0 1.1 55.0 2.4 57.0 1.3 76.0 1.7 77.0 44.8 78.0 6.9 91.0 1.5 105.0 100.0 106.0 8.0 120.0 47.2 121.0 4.2 133.0 2.8 162.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H14 O 0.04 ml : 0.5 ml CDCl3 valerophenone 
Assign. Shift(ppm)
A 7.95 B 7.51 C 7.47 D 2.95 E 1.72 F 1.41 G 0.96
Hz ppm Int.717.38 8.011 490 715.69 7.992 464 713.88 7.971 229 712.88 7.960 194 712.06 7.951 192 710.13 7.930 356 709.00 7.917 186 707.63 7.902 669 706.13 7.885 120 677.69 7.567 165 676.44 7.553 181 676.06 7.549 183 674.69 7.534 146 673.19 7.517 488 672.19 7.506 849 671.00 7.493 772 669.88 7.480 412 668.94 7.470 343 668.63 7.466 347 666.38 7.441 276 665.38 7.430 288 664.75 7.423 442 664.25 7.417 433 662.38 7.396 76 661.50 7.387 81 661.00 7.381 106 659.44 7.364 175 658.88 7.357 63 657.63 7.343 67 655.75 7.322 94 272.19 3.040 297 265.31 2.963 634 264.63 2.955 417 257.69 2.878 519 162.38 1.814 188 159.88 1.786 102 159.44 1.781 89 157.44 1.758 84 155.69 1.739 235 154.38 1.724 218 152.56 1.704 154 150.69 1.683 71 148.63 1.660 173 148.00 1.653 212 147.06 1.643 233 146.13 1.632 124 145.38 1.624 98 143.31 1.601 117 141.75 1.583 120 141.00 1.575 148 140.13 1.565 96 139.56 1.559 80 137.75 1.539 114 137.38 1.534 115 136.75 1.527 142 136.13 1.520 182 131.63 1.470 159 130.94 1.463 166 130.06 1.453 166 128.56 1.436 241 127.00 1.419 82 126.38 1.412 82 124.25 1.388 179 121.88 1.361 233 121.13 1.353 170 120.13 1.342 90 119.69 1.337 80 118.13 1.320 75 115.38 1.289 197 114.13 1.275 111 108.75 1.215 95 92.56 1.034 311 91.50 1.022 550 90.94 1.016 484 87.88 0.982 62 87.25 0.975 62 85.06 0.950 1000 80.50 0.899 68 78.88 0.881 176 77.63 0.867 234 75.81 0.847 139
in CDCl3
liquid film
4880 A,150M,liquid
