MONOLAURIN(142-18-7) IR2
Product NameMONOLAURIN
CAS142-18-7
Molecular FormulaC15H30O4
Molecular Weight274.4
InChIInChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
InChIKey ARIWANIATODDMH-UHFFFAOYSA-N
SmilesC(OCC(O)CO)(=O)CCCCCCCCCCC
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MassMS-NW-6010 alpha-monolaurin C15H30O4 (Mass of molecular ion: 274)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 5.4 17.0 1.0 18.0 4.4 19.0 6.4 26.0 1.2 27.0 19.0 28.0 8.5 29.0 39.7 30.0 1.4 31.0 13.2 39.0 10.3 40.0 2.6 41.0 64.5 42.0 16.8 43.0 81.0 44.0 12.2 45.0 12.4 46.0 1.0 53.0 3.9 54.0 6.0 55.0 57.7 56.0 21.8 57.0 78.8 58.0 4.4 59.0 3.7 60.0 17.3 61.0 16.9 67.0 9.5 68.0 6.0 69.0 26.5 70.0 8.9 71.0 33.7 72.0 2.4 73.0 23.9 74.0 81.9 75.0 22.3 76.0 1.1 79.0 2.7 80.0 1.5 81.0 9.5 82.0 4.2 83.0 20.5 84.0 50.4 85.0 22.8 86.0 2.2 87.0 19.7 88.0 2.6 89.0 2.2 91.0 1.0 93.0 5.2 94.0 1.5 95.0 13.5 96.0 3.9 97.0 16.5 98.0 70.7 99.0 8.1 100.0 1.7 101.0 6.7 102.0 1.9 103.0 1.8 107.0 1.2 109.0 7.6 110.0 2.4 111.0 8.3 112.0 22.5 113.0 3.3 115.0 6.4 116.0 17.6 117.0 2.7 121.0 1.9 123.0 2.3 125.0 3.3 126.0 14.3 127.0 1.8 129.0 13.6 130.0 1.6 134.0 51.2 135.0 4.2 138.0 2.3 139.0 2.1 140.0 5.0 141.0 1.0 143.0 6.2 147.0 6.8 153.0 1.2 154.0 1.2 157.0 4.7 163.0 1.1 164.0 1.1 171.0 5.2 176.0 2.9 181.0 1.2 182.0 10.0 183.0 100.0 184.0 13.5 185.0 3.0 200.0 15.5 201.0 34.4 202.0 4.8 213.0 1.1 214.0 13.6 215.0 2.5 243.0 26.5 244.0 4.5 256.0 1.0 257.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H30 O4 0.038 g : 0.5 ml CDCl3 alpha-monolaurin 
Assign. Shift(ppm)
A *1 4.165 B *1 4.144 C 3.925 D *2 3.690 E *2 3.592 F 2.345 G 1.618 J 1.29 K 1.26 L 0.879
Hz ppm Int.1665.04 4.167 145 1661.74 4.158 160 1660.03 4.154 167 1655.88 4.144 156 1644.29 4.115 32 1573.12 3.937 41 1569.21 3.927 49 1567.99 3.924 46 1563.96 3.914 40 1483.76 3.713 39 1480.10 3.704 38 1472.17 3.684 66 1468.51 3.675 60 1442.75 3.611 72 1436.65 3.595 67 1431.15 3.582 46 1425.17 3.567 41 945.07 2.365 145 937.62 2.347 231 929.93 2.327 166 655.27 1.640 53 648.07 1.622 79 640.75 1.604 60 514.53 1.288 273 503.42 1.260 1000 358.52 0.898 146 351.93 0.881 431 344.85 0.863 176
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
