4'-N-HEPTYLACETOPHENONE(37593-03-6) MS
Product Name4'-N-HEPTYLACETOPHENONE
CAS37593-03-6
Molecular FormulaC15H22O
Molecular Weight218.33
InChIInChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
InChIKey UQBRZOXCKKBKDU-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(CCCCCCC)C=C1)C
-
MassMS-NW-9466 4'-heptylacetophenone C15H22O (Mass of molecular ion: 218)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.4 29.0 1.8 39.0 1.1 41.0 3.2 43.0 12.3 55.0 2.0 65.0 1.3 77.0 2.2 79.0 1.0 89.0 1.7 90.0 4.1 91.0 16.4 92.0 1.8 103.0 1.8 104.0 1.2 105.0 6.5 115.0 1.0 118.0 2.5 119.0 1.1 131.0 2.3 133.0 4.0 134.0 3.0 189.0 1.0 203.0 100.0 204.0 15.5 205.0 1.3 218.0 11.2 219.0 1.9
400 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H22 O 0.05 ml : 0.5 ml CDCl3 4'-heptylacetophenone 
Assign. Shift(ppm)
A 7.869 B 7.249 C 2.647 D 2.561 E 1.62 F 1.31 G 1.27 J 0.876
Hz ppm Int.3151.25 7.886 35 3149.41 7.881 220 3147.46 7.876 78 3142.94 7.865 79 3140.99 7.860 236 3139.16 7.855 44 2904.17 7.267 34 2902.34 7.263 201 2900.39 7.258 71 2895.75 7.246 66 2893.80 7.241 190 2891.97 7.237 37 1065.55 2.667 101 1057.98 2.648 126 1050.05 2.628 112 1048.95 2.625 76 1023.56 2.562 1000 655.03 1.640 45 647.46 1.621 62 641.72 1.606 42 639.89 1.602 48 532.71 1.333 69 528.69 1.323 105 525.02 1.314 184 522.46 1.308 132 521.24 1.305 141 518.68 1.298 165 512.33 1.282 106 508.42 1.273 127 507.20 1.270 136 503.30 1.260 104 494.51 1.238 37 357.18 0.894 118 350.34 0.877 350 343.14 0.859 140
in CDCl3
liquid film
