Hendecanoic acid(112-37-8) IR1
Product NameHendecanoic acid
CAS112-37-8
Molecular FormulaC11H22O2
Molecular Weight186.29
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey ZDPHROOEEOARMN-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCC
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MassMS-NW-2666 undecanoic acid C11H22O2 (Mass of molecular ion: 186)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.3 27.0 14.4 28.0 2.9 29.0 23.2 31.0 1.2 39.0 9.3 40.0 1.7 41.0 39.9 42.0 9.5 43.0 51.8 44.0 1.7 45.0 5.4 53.0 2.5 54.0 3.2 55.0 35.8 56.0 10.0 57.0 36.5 58.0 1.7 59.0 3.6 60.0 100.0 61.0 16.1 67.0 3.2 68.0 3.3 69.0 20.9 70.0 7.4 71.0 35.5 72.0 2.0 73.0 97.6 74.0 8.5 81.0 2.4 82.0 3.5 83.0 11.6 84.0 8.4 85.0 22.5 86.0 1.5 87.0 15.3 88.0 1.8 95.0 1.6 96.0 1.9 97.0 8.9 98.0 7.3 101.0 8.5 102.0 1.3 111.0 2.1 112.0 1.4 115.0 10.0 116.0 1.0 124.0 5.2 125.0 1.2 126.0 6.2 127.0 3.4 129.0 24.4 130.0 2.0 143.0 19.9 144.0 2.0 157.0 5.1 186.0 10.5 187.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H22 O2 0.04 g : 0.5 ml CDCl3 undecanoic acid 
Assign. Shift(ppm)
A 10.4 B 2.34 C 1.63 D 1.27 E 0.88
Hz ppm Int.217.90 2.434 45 216.96 2.423 47 210.29 2.349 126 202.77 2.265 101 153.55 1.715 33 153.21 1.711 32 152.78 1.706 33 152.44 1.703 32 151.50 1.692 31 150.73 1.684 31 150.39 1.680 31 149.54 1.670 33 146.12 1.632 49 145.78 1.628 48 144.32 1.612 44 142.61 1.593 37 140.82 1.573 38 140.48 1.569 38 139.62 1.559 39 139.37 1.557 39 139.11 1.554 39 138.60 1.548 38 138.17 1.543 37 136.38 1.523 32 135.86 1.517 30 133.22 1.488 32 132.70 1.482 33 131.76 1.472 34 129.20 1.443 45 127.83 1.428 47 125.44 1.401 58 113.48 1.268 1000 83.91 0.937 74 82.63 0.923 67 78.78 0.880 232 72.63 0.811 53
in CDCl3
KBr disc
liquid film
nujol mull
