1-Iodononane(4282-42-2) MS
Product Name1-Iodononane
CAS4282-42-2
Molecular FormulaC9H19I
Molecular Weight254.15
InChIInChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey OGSJMFCWOUHXHN-UHFFFAOYSA-N
SmilesC(I)CCCCCCCC
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MassMS-NW-9981 1-iodononane C9H19I (Mass of molecular ion: 254)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 12.7 28.0 2.6 29.0 22.5 39.0 8.4 40.0 1.7 41.0 46.6 42.0 9.3 43.0 100.0 44.0 4.5 53.0 2.2 54.0 1.2 55.0 20.6 56.0 6.1 57.0 85.9 58.0 4.1 67.0 1.0 69.0 5.3 70.0 1.8 71.0 89.3 72.0 5.1 83.0 1.2 85.0 47.0 86.0 3.1 127.0 12.3 128.0 1.2 155.0 4.1 254.0 2.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H19 I 0.05 ml : 0.5 ml CDCl3 1-iodononane 
Assign. Shift(ppm)
A 3.18 B 1.82 C 1.40 D 1.285 E 0.88
Hz ppm Int.292.06 3.262 146 285.13 3.184 345 278.25 3.107 205 170.13 1.900 58 169.81 1.897 58 167.94 1.876 54 167.44 1.870 52 166.63 1.861 54 163.13 1.822 89 159.50 1.781 55 159.06 1.777 55 156.56 1.749 75 152.31 1.701 34 151.88 1.696 34 151.44 1.691 34 150.75 1.684 34 150.31 1.679 34 137.50 1.536 34 136.63 1.526 34 136.31 1.522 35 136.13 1.520 35 135.13 1.509 36 129.38 1.445 71 129.06 1.442 72 128.56 1.436 74 125.63 1.403 96 115.13 1.286 1000 101.44 1.133 45 100.25 1.120 39 99.44 1.111 36 98.94 1.105 34 97.94 1.094 31 84.25 0.941 116 83.88 0.937 116 82.00 0.916 109 81.69 0.913 110 78.94 0.882 296 72.94 0.815 78
in CDCl3
liquid film
