5-Nonanone(502-56-7) MS
Product Name5-Nonanone
CAS502-56-7
Molecular FormulaC9H18O
Molecular Weight142.24
InChIInChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
InChIKey WSGCRAOTEDLMFQ-UHFFFAOYSA-N
SmilesCCCCC(=O)CCCC
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MassMS-NW-0843 5-nonanone C9H18O (Mass of molecular ion: 142)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 15.5 28.0 6.1 29.0 35.0 39.0 9.3 40.0 1.2 41.0 36.2 42.0 3.0 43.0 5.3 53.0 2.1 55.0 5.1 56.0 2.1 57.0 100.0 58.0 69.0 59.0 4.6 60.0 1.1 71.0 6.5 72.0 2.9 85.0 85.1 86.0 4.9 100.0 7.6 113.0 4.9 142.0 15.7 143.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 O 0.04 ml : 0.5 ml CDCl3 5-nonanone 
Assign. Shift(ppm)
A 2.382 B 1.54 C 1.30 D 0.91
Hz ppm Int.221.75 2.476 219 214.81 2.399 467 210.94 2.356 48 207.50 2.317 423 154.94 1.731 41 153.56 1.715 62 150.50 1.681 36 147.13 1.643 169 144.69 1.616 128 140.50 1.569 197 139.75 1.561 197 138.81 1.550 171 137.50 1.536 160 134.25 1.499 192 133.81 1.495 199 132.75 1.483 264 131.88 1.473 183 130.75 1.460 152 130.38 1.456 151 130.00 1.452 152 127.00 1.419 282 125.63 1.403 186 122.50 1.368 160 121.81 1.361 145 121.06 1.352 190 119.25 1.332 206 118.00 1.318 70 116.56 1.302 99 115.44 1.289 169 112.69 1.259 203 109.31 1.221 96 106.44 1.189 184 104.94 1.172 79 100.00 1.117 99 88.31 0.987 332 87.19 0.974 498 86.50 0.966 437 83.88 0.937 82 80.88 0.904 1000 77.00 0.860 118 75.00 0.838 149 73.50 0.821 213 71.31 0.797 90
in CDCl3
liquid film
