4'-N-OCTYLACETOPHENONE(10541-56-7) MS
Product Name4'-N-OCTYLACETOPHENONE
CAS10541-56-7
Molecular FormulaC16H24O
Molecular Weight232.36
InChIInChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3
InChIKey GARQDIVXKVBJFP-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(CCCCCCCC)C=C1)C
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MassMS-NW-9471 4'-octylacetophenone C16H24O (Mass of molecular ion: 232)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.1 29.0 1.9 41.0 3.3 43.0 11.0 55.0 1.4 57.0 1.7 77.0 1.8 89.0 1.3 90.0 3.3 91.0 14.3 92.0 1.7 103.0 1.5 104.0 1.0 105.0 5.7 118.0 2.3 119.0 1.1 131.0 2.7 133.0 3.6 134.0 3.6 147.0 1.4 217.0 100.0 218.0 16.5 219.0 1.4 232.0 12.8 233.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H24 O 0.05 ml : 0.5 ml CDCl3 4'-octylacetophenone 
Assign. Shift(ppm)
A 7.869 B 7.249 C 2.645 D 2.559 E 1.618 F 1.30 G 1.26 J 0.875
Hz ppm Int.3151.25 7.886 36 3149.29 7.881 226 3147.46 7.876 80 3142.82 7.864 80 3140.87 7.860 240 3139.04 7.855 45 2901.49 7.261 205 2899.54 7.256 72 2894.90 7.244 67 2893.07 7.240 189 1064.70 2.665 102 1057.13 2.646 127 1049.32 2.626 111 1025.51 2.567 31 1022.71 2.560 1000 654.17 1.637 44 646.85 1.619 64 639.28 1.600 50 524.05 1.312 144 519.65 1.301 181 512.33 1.282 130 510.01 1.277 140 505.00 1.264 196 356.69 0.893 115 349.85 0.876 368 342.77 0.858 153
in CDCl3
liquid film
