3-METHYLNONANE(5911-04-6) MS
Product Name3-METHYLNONANE
CAS5911-04-6
Molecular FormulaC10H22
Molecular Weight142.28
InChIInChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3
InChIKey PLZDDPSCZHRBOY-UHFFFAOYSA-N
SmilesCCC(C)CCCCCC
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MassMS-NW-4605 3-methylnonane C10H22 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 8.5 29.0 18.6 39.0 5.6 41.0 27.6 42.0 5.6 43.0 50.2 44.0 1.7 53.0 1.4 55.0 9.6 56.0 31.7 57.0 100.0 58.0 4.5 69.0 3.2 70.0 5.4 71.0 59.2 72.0 3.5 83.0 2.5 84.0 3.8 85.0 5.5 112.0 12.6 113.0 12.0 114.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H22 0.04 ml : 0.5 ml CDCl3 3-methylnonane 
Assign. Shift(ppm)
A 1.34 B *1 1.32 C 1.29 D 1.30 to 1.22 E *2 1.24 F *1 1.12 G *2 1.08 J 0.884 K 0.855 L 0.841 THE SHIFT VALUES WERE OBTAINED AT 400MHZ. J(B,K)=J(F,K)=7.1HZ. J(C,J)=6.9HZ. J(A,L)=6.5HZ.
Hz ppm Int.129.31 1.444 25 128.94 1.440 25 128.44 1.435 26 112.88 1.261 1000 99.13 1.107 78 99.00 1.106 78 96.06 1.073 56 95.69 1.069 55 95.06 1.062 54 92.25 1.031 57 90.44 1.010 43 89.94 1.005 44 82.38 0.920 276 79.00 0.883 487 78.13 0.873 480 76.13 0.851 349 75.06 0.839 299 72.81 0.813 328 66.75 0.746 37 66.31 0.741 37
in CDCl3
liquid film
