ISOAMYL LAURATE(6309-51-9) MS
Product NameISOAMYL LAURATE
CAS6309-51-9
Molecular FormulaC17H34O2
Molecular Weight270.45
InChIInChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
InChIKey FVKRIDSRWFEQME-UHFFFAOYSA-N
SmilesC(OCCC(C)C)(=O)CCCCCCCCCCC
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MassMS2016-05349CW isopentyl dodecanoate C17H34O2 (Mass of molecular ion: 270)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
27.0 1.3 29.0 3.2 39.0 1.1 41.0 8.0 42.0 3.4 43.0 23.6 55.0 12.6 56.0 2.1 57.0 8.8 60.0 2.5 61.0 1.2 67.0 1.1 69.0 5.1 70.0 100.0 71.0 38.9 72.0 2.0 73.0 3.9 81.0 1.2 83.0 2.7 84.0 1.9 85.0 3.7 87.0 1.5 95.0 2.2 97.0 2.2 98.0 2.1 101.0 1.6 109.0 1.5 115.0 3.5 129.0 3.2 130.0 2.3 131.0 1.7 143.0 3.2 157.0 3.1 171.0 1.4 183.0 21.6 184.0 2.9 199.0 1.1 200.0 7.3 201.0 12.2 202.0 1.6 227.0 2.9 255.0 1.1 270.0 3.5 271.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C17 H34 O2 0.04 ml : 0.5 ml CDCl3 isopentyl dodecanoate 
Assign. Shift(ppm)
A 4.097 B 2.27 C 1.60 D 1.26 E 0.92 F 0.88
Hz ppm Int.373.63 4.172 63 366.88 4.097 110 360.25 4.023 61 212.50 2.373 28 211.44 2.361 23 204.94 2.289 67 197.75 2.209 51 197.31 2.204 51 146.56 1.637 45 144.81 1.617 64 143.31 1.601 58 138.25 1.544 88 136.94 1.530 51 131.56 1.469 66 112.94 1.262 1000 85.44 0.954 454 79.50 0.888 389
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
