10-Hydroxydecanoic acid(1679-53-4)IR
Product Name10-Hydroxydecanoic acid
CAS1679-53-4
Molecular FormulaC10H20O3
Molecular Weight188.26
InChIInChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
InChIKey YJCJVMMDTBEITC-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCO
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MassMS-IW-7256 10-hydroxydecanoic acid C10H20O3 (Mass of molecular ion: 188)
Source Temperature: 140 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 3.1 18.0 16.5 27.0 11.6 28.0 6.5 29.0 16.0 31.0 14.2 39.0 12.0 40.0 2.7 41.0 54.1 42.0 15.6 43.0 25.4 44.0 2.8 45.0 10.2 51.0 1.5 53.0 5.9 54.0 13.1 55.0 92.1 56.0 22.7 57.0 18.3 58.0 3.5 59.0 5.3 60.0 47.2 61.0 5.1 65.0 2.0 66.0 2.9 67.0 23.4 68.0 34.7 69.0 85.9 70.0 18.7 71.0 8.1 72.0 1.2 73.0 56.5 74.0 5.2 77.0 2.7 78.0 2.2 79.0 8.2 80.0 5.8 81.0 22.0 82.0 33.3 83.0 29.5 84.0 67.2 85.0 8.2 86.0 1.8 87.0 13.0 88.0 2.4 91.0 6.4 92.0 3.7 93.0 5.2 94.0 7.5 95.0 13.6 96.0 26.8 97.0 19.3 98.0 100.0 99.0 10.9 100.0 9.3 101.0 12.2 102.0 3.1 103.0 1.0 105.0 3.4 106.0 2.1 107.0 2.7 108.0 26.8 109.0 14.7 110.0 22.2 111.0 21.6 112.0 6.4 113.0 4.8 114.0 8.4 115.0 22.8 116.0 2.5 117.0 2.4 119.0 3.4 121.0 2.0 122.0 2.1 123.0 13.1 124.0 16.0 125.0 5.3 126.0 6.4 127.0 6.2 128.0 3.2 129.0 19.5 130.0 3.2 131.0 1.0 132.0 1.3 133.0 1.0 134.0 12.5 135.0 2.6 136.0 1.2 137.0 4.7 138.0 1.5 141.0 2.8 142.0 1.8 150.0 1.0 151.0 1.5 152.0 24.0 153.0 4.0 158.0 37.1 159.0 3.7 169.0 1.3 170.0 4.3 171.0 2.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H20 O3 0.041 g : 0.5 ml DMSO-d6 10-hydroxydecanoic acid 
Assign. Shift(ppm)
A 12.0 B 4.3 C 3.373 D 2.183 E 1.485 F 1.394 G 1.25
Hz ppm Int.4779.91 11.961 23 1731.11 4.332 25 1355.07 3.391 111 1348.47 3.375 218 1341.88 3.358 116 880.30 2.203 196 872.79 2.184 394 865.46 2.166 224 600.60 1.503 69 598.22 1.497 60 593.64 1.486 107 586.68 1.468 78 580.09 1.452 29 579.72 1.451 28 566.35 1.418 65 559.94 1.402 107 553.35 1.385 85 548.58 1.373 29 546.75 1.369 32 500.04 1.252 1000
in DMSO-d6
