2-Nonanone(821-55-6) MS
Product Name2-Nonanone
CAS821-55-6
Molecular FormulaC9H18O
Molecular Weight142.24
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKey VKCYHJWLYTUGCC-UHFFFAOYSA-N
SmilesCC(=O)CCCCCCC
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MassMS-NW-4043 2-nonanone C9H18O (Mass of molecular ion: 142)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.7 27.0 7.8 28.0 1.6 29.0 9.2 39.0 5.5 40.0 1.0 41.0 14.9 42.0 3.7 43.0 73.2 44.0 1.9 45.0 1.0 53.0 1.2 55.0 6.3 56.0 3.4 57.0 21.8 58.0 100.0 59.0 21.2 67.0 1.5 69.0 1.8 71.0 21.8 72.0 1.6 82.0 3.2 83.0 1.0 84.0 3.8 85.0 3.8 99.0 1.7 100.0 1.4 113.0 1.2 127.0 2.5 142.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 O 0.04 ml : 0.5 ml CDCl3 2-nonanone 
Assign. Shift(ppm)
A 2.40 B 2.13 C 1.57 D 1.27 E 0.88
Hz ppm Int.223.56 2.497 53 216.75 2.421 125 209.38 2.338 104 190.44 2.127 1000 147.75 1.650 30 140.44 1.569 42 140.13 1.565 42 137.75 1.539 33 137.38 1.534 32 136.38 1.523 31 135.44 1.513 32 134.94 1.507 32 133.88 1.495 32 132.81 1.483 35 126.88 1.417 41 113.75 1.271 434 83.94 0.938 70 81.44 0.910 58 78.69 0.879 237 72.56 0.811 52
in CDCl3
liquid film
4880 A,200 M,liquid
