3-Hydroxytetradecanoic Acid(1961-72-4) IR3
Product Name3-Hydroxytetradecanoic Acid
CAS1961-72-4
Molecular FormulaC14H28O3
Molecular Weight244.37
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKey ATRNZOYKSNPPBF-UHFFFAOYSA-N
SmilesC(O)(=O)CC(O)CCCCCCCCCCC
-
MassMS-NW-2312 3-hydroxytetradecanoic acid C14H28O3 (Mass of molecular ion: 244)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 3.6 27.0 6.6 28.0 1.5 29.0 13.5 39.0 4.2 41.0 23.8 42.0 6.4 43.0 30.6 44.0 3.2 45.0 1.9 47.0 1.2 53.0 1.8 54.0 3.7 55.0 23.2 56.0 12.9 57.0 20.7 58.0 9.1 59.0 3.6 60.0 4.4 61.0 1.3 67.0 6.1 68.0 5.9 69.0 18.1 70.0 11.3 71.0 26.8 72.0 1.4 73.0 3.3 81.0 5.9 82.0 9.3 83.0 14.6 84.0 8.7 85.0 4.9 86.0 1.8 87.0 3.9 88.0 3.1 89.0 100.0 90.0 3.8 91.0 1.0 95.0 4.4 96.0 8.0 97.0 12.9 98.0 6.9 99.0 2.3 100.0 2.6 101.0 1.8 109.0 2.5 110.0 3.9 111.0 6.9 112.0 3.2 113.0 2.2 114.0 4.0 115.0 1.0 123.0 2.0 124.0 3.2 125.0 2.2 126.0 1.2 127.0 2.5 128.0 1.3 129.0 1.0 137.0 1.4 138.0 2.2 140.0 3.7 154.0 1.0 164.0 1.8 166.0 5.3 167.0 1.2 183.0 1.0 208.0 3.4 226.0 2.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C14 H28 O3 0.048 g : 0.5 ml CDCl3 3-hydroxytetradecanoic acid 
Assign. Shift(ppm)
A 7.2 B 4.04 C *1 2.54 D *1 2.48 E 1.42 F 1.26 G 0.88
Hz ppm Int.641.47 7.163 31 227.72 2.543 100 223.45 2.495 56 220.03 2.457 51 133.39 1.490 41 127.23 1.421 66 126.81 1.416 65 126.46 1.413 64 126.12 1.409 64 125.18 1.398 64 124.76 1.394 65 112.96 1.262 1000 105.53 1.179 43 105.02 1.173 42 84.08 0.939 47 83.74 0.936 47 81.52 0.911 39 81.18 0.907 39 80.75 0.902 38 78.78 0.880 148 72.63 0.811 33
in CDCl3
CCl4 solution
KBr disc
nujol mull
