Octanal(124-13-0) IR1
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKey NUJGJRNETVAIRJ-UHFFFAOYSA-N
SmilesC(=O)CCCCCCC
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MassMS-NW-2944 octanal C8H16O (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.5 18.0 1.4 26.0 2.0 27.0 32.4 28.0 7.5 29.0 45.9 30.0 1.6 31.0 2.0 32.0 1.0 39.0 18.4 40.0 3.5 41.0 67.1 42.0 40.3 43.0 100.0 44.0 80.9 45.0 21.2 51.0 1.1 53.0 3.9 54.0 7.7 55.0 51.0 56.0 65.8 57.0 51.4 58.0 6.1 59.0 1.0 60.0 3.4 66.0 3.5 67.0 17.1 68.0 23.4 69.0 28.3 70.0 3.3 71.0 10.3 72.0 7.7 73.0 2.5 81.0 20.4 82.0 21.5 83.0 2.8 84.0 55.1 85.0 18.8 86.0 2.1 95.0 6.7 99.0 2.7 100.0 10.3 101.0 1.1 110.0 7.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O 0.05 ml : 0.5 ml CDCl3 octanal 
Assign. Shift(ppm)
A 9.758 B 2.41 C 1.63 D 1.30 E 0.88
Hz ppm Int.875.94 9.781 347 874.06 9.760 715 872.18 9.739 368 225.24 2.515 81 224.30 2.505 78 223.36 2.494 106 222.42 2.484 84 217.55 2.430 218 215.76 2.410 212 210.89 2.355 144 210.21 2.348 184 209.01 2.334 153 208.33 2.327 179 153.04 1.709 77 152.01 1.698 74 151.07 1.687 67 150.31 1.679 67 149.19 1.666 69 147.14 1.643 92 145.86 1.629 112 145.18 1.622 110 142.44 1.591 82 141.93 1.585 79 141.16 1.577 88 140.31 1.567 92 139.28 1.556 89 138.94 1.552 90 138.60 1.548 90 137.74 1.538 90 133.98 1.496 77 133.47 1.491 78 131.85 1.473 90 130.48 1.457 92 130.14 1.454 93 129.54 1.447 95 126.12 1.409 127 122.71 1.371 212 116.55 1.302 993 115.70 1.292 1000 101.17 1.130 34 100.83 1.126 33 86.39 0.965 113 84.51 0.944 191 84.00 0.938 188 79.04 0.883 665 73.06 0.816 136 68.87 0.769 43
in CDCl3
liquid film
