METHYL HEPTADECANOATE(1731-92-6) MS
Product NameMETHYL HEPTADECANOATE
CAS1731-92-6
Molecular FormulaC18H36O2
Molecular Weight284.48
InChIInChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChIKey HUEBIMLTDXKIPR-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCCCCCCCCCCC
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MassMS-NW-5983 methyl heptadecanoate C18H36O2 (Mass of molecular ion: 284)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.6 27.0 3.8 29.0 10.2 39.0 2.4 41.0 20.0 42.0 4.2 43.0 26.7 44.0 1.0 45.0 1.6 53.0 1.1 54.0 1.6 55.0 17.8 56.0 4.0 57.0 15.1 59.0 4.5 67.0 2.4 68.0 1.3 69.0 11.5 70.0 2.4 71.0 5.6 73.0 1.7 74.0 100.0 75.0 18.4 76.0 1.0 81.0 1.9 82.0 1.2 83.0 6.8 84.0 3.2 85.0 2.9 87.0 64.1 88.0 5.8 95.0 1.5 97.0 4.9 98.0 3.7 101.0 4.9 111.0 2.3 112.0 1.0 115.0 1.7 116.0 1.0 125.0 1.1 129.0 5.5 130.0 1.4 143.0 13.2 144.0 1.6 157.0 1.3 185.0 3.8 199.0 3.3 227.0 1.1 241.0 7.3 242.0 1.5 253.0 4.1 255.0 2.0 284.0 8.5 285.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C18 H36 O2 0.047 g : 0.5 ml CDCl3 methyl heptadecanoate 
Assign. Shift(ppm)
A 3.661 B 2.31 C 1.61 D 1.26 E 0.88
Hz ppm Int.327.88 3.662 342 206.31 2.304 30 198.63 2.218 25 112.63 1.258 1000 78.75 0.880 54
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
