10-Hydroxy-2-decenoic acid (14113-05-4) IR2
Product Name10-Hydroxy-2-decenoic acid
CAS14113-05-4
Molecular FormulaC10H18O3
Molecular Weight186.25
InChIInChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+
InChIKey QHBZHVUGQROELI-SOFGYWHQSA-N
SmilesC(O)(=O)/C=C/CCCCCCCO
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MassMS-IW-5527 trans-10-hydroxy-2-decenoic acid C10H18O3 (Mass of molecular ion: 186)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 4.2 27.0 14.6 28.0 4.9 29.0 24.7 31.0 25.3 39.0 19.9 40.0 5.2 41.0 68.0 42.0 18.1 43.0 30.9 44.0 5.3 45.0 8.9 51.0 2.0 52.0 1.2 53.0 13.7 54.0 35.9 55.0 100.0 56.0 11.0 57.0 18.4 58.0 4.6 59.0 2.3 60.0 3.3 61.0 1.1 65.0 2.8 66.0 5.9 67.0 61.6 68.0 50.6 69.0 18.0 70.0 13.6 71.0 24.2 72.0 6.3 73.0 35.3 74.0 2.0 77.0 2.7 78.0 2.4 79.0 16.6 80.0 21.3 81.0 67.4 82.0 29.6 83.0 20.7 84.0 18.3 85.0 13.2 86.0 58.7 87.0 8.2 88.0 1.0 91.0 2.7 93.0 14.1 94.0 13.8 95.0 30.4 96.0 30.4 97.0 29.4 98.0 20.1 99.0 39.4 100.0 23.4 101.0 5.6 102.0 1.3 104.0 1.0 106.0 3.8 107.0 6.6 108.0 31.0 109.0 15.3 110.0 3.2 111.0 8.6 112.0 6.2 113.0 6.9 114.0 4.0 115.0 1.2 117.0 1.7 119.0 1.0 120.0 1.0 121.0 6.8 122.0 10.6 123.0 8.2 124.0 27.8 125.0 8.5 126.0 5.0 127.0 3.4 132.0 1.5 135.0 2.2 137.0 1.4 138.0 8.4 139.0 6.4 140.0 7.4 141.0 1.1 150.0 7.4 151.0 1.5 156.0 10.5 157.0 1.1 168.0 19.2 169.0 7.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H18 O3 0.031 g : 0.5 ml CDCl3 trans-10-hydroxy-2-decenoic acid 
Assign. Shift(ppm)
A 7.061 B 7.0 C 5.820 D 3.643 E 2.224 F 1.57 G 1.47 J 1.36 to 1.32 J(A,C)=15.6HZ J(C,E)=-1.6HZ
Hz ppm Int.2837.16 7.100 112 2830.20 7.082 242 2823.12 7.064 126 2821.53 7.061 127 2814.58 7.043 262 2807.50 7.025 131 2335.08 5.843 150 2333.50 5.839 339 2331.91 5.835 156 2319.46 5.804 150 2317.87 5.800 318 2316.28 5.796 137 1463.01 3.661 466 1456.30 3.644 1000 1449.71 3.628 503 900.51 2.254 95 899.05 2.250 102 893.43 2.236 243 892.09 2.233 269 885.74 2.217 262 878.91 2.200 114 877.32 2.196 110 639.77 1.601 36 633.18 1.585 125 625.98 1.567 198 619.02 1.549 169 612.30 1.533 65 601.81 1.506 38 594.73 1.489 116 587.89 1.472 176 583.25 1.460 113 580.93 1.454 138 573.85 1.436 56 553.96 1.387 40 547.49 1.370 114 546.02 1.367 114 531.37 1.330 919
in CDCl3
KBr disc
nujol mull
