2-UNDECANOL(1653-30-1) IR2
Product Name2-UNDECANOL
CAS1653-30-1
Molecular FormulaC11H24O
Molecular Weight172.31
InChIInChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKey XMUJIPOFTAHSOK-UHFFFAOYSA-N
SmilesCC(O)CCCCCCCCC
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MassMS-NW-2011 2-undecanol C11H24O (Mass of molecular ion: 172)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.2 27.0 4.4 28.0 1.2 29.0 7.0 39.0 2.3 41.0 12.3 42.0 4.4 43.0 16.3 44.0 5.4 45.0 100.0 46.0 2.1 54.0 1.1 55.0 14.2 56.0 9.5 57.0 13.1 58.0 2.1 67.0 1.1 68.0 1.0 69.0 11.5 70.0 9.3 71.0 5.3 82.0 2.0 83.0 12.2 84.0 6.3 85.0 3.7 96.0 1.0 97.0 7.7 98.0 3.2 111.0 2.7 112.0 2.1 125.0 1.5 126.0 4.2 154.0 2.9 157.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H24 O 0.05 ml : 0.5 ml CDCl3 2-undecanol 
Assign. Shift(ppm)
A 3.776 B 2.13 C 1.46 to 1.390 D 1.32 to 1.260 E 1.174 F 0.881
Hz ppm Int.1517.58 3.798 44 1512.45 3.785 60 1511.47 3.782 70 1506.23 3.769 66 1505.49 3.768 74 1499.27 3.752 49 851.32 2.131 348 590.33 1.478 44 590.09 1.477 44 589.48 1.475 43 583.13 1.460 59 576.17 1.442 64 573.36 1.435 76 567.38 1.420 91 566.16 1.417 91 564.33 1.413 91 560.91 1.404 88 558.72 1.399 83 555.18 1.390 96 552.98 1.384 96 546.39 1.368 54 542.24 1.357 61 534.18 1.337 104 507.08 1.269 731 484.99 1.214 30 480.83 1.204 31 472.41 1.183 1000 470.09 1.177 76 466.19 1.167 945 359.01 0.899 234 352.17 0.882 690 349.73 0.876 68 345.21 0.864 244
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
