Product NameDimethyl sebacate
CAS106-79-6
Molecular FormulaC12H22O4
Molecular Weight230.3
InChIInChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChIKey ALOUNLDAKADEEB-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCCCC(OC)=O
Mass
MS-NW-0549 dimethyl sebacate C12H22O4 (Mass of molecular ion: 230)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 30.3 17.0 1.2 18.0 5.9 27.0 13.6 28.0 5.8 29.0 18.8 31.0 4.6 39.0 11.3 40.0 2.4 41.0 45.8 42.0 9.0 43.0 43.6 44.0 2.2 45.0 6.3 53.0 4.3 54.0 4.4 55.0 72.8 56.0 8.7 57.0 6.8 58.0 1.0 59.0 29.8 60.0 1.2 67.0 10.4 68.0 6.1 69.0 36.3 70.0 6.0 71.0 3.5 73.0 9.8 74.0 100.0 75.0 6.5 79.0 4.7 80.0 5.0 81.0 11.3 82.0 5.0 83.0 30.3 84.0 58.4 85.0 5.3 87.0 35.7 88.0 6.4 91.0 1.1 93.0 3.3 94.0 4.5 95.0 7.9 96.0 9.4 97.0 43.8 98.0 80.5 99.0 5.9 100.0 1.2 101.0 10.6 102.0 1.3 106.0 1.5 107.0 5.1 109.0 3.1 110.0 7.3 111.0 11.0 112.0 10.8 113.0 2.5 114.0 2.7 115.0 9.4 116.0 1.2 119.0 1.4 120.0 2.8 121.0 9.6 122.0 2.1 123.0 2.5 124.0 8.3 125.0 66.2 126.0 6.4 127.0 1.9 128.0 1.1 129.0 2.1 130.0 1.1 135.0 1.8 137.0 2.5 138.0 34.5 139.0 17.7 140.0 1.8 142.0 1.7 143.0 1.2 144.0 4.5 148.0 4.9 149.0 2.2 151.0 1.0 152.0 1.9 153.0 3.6 154.0 1.8 155.0 1.0 156.0 2.0 157.0 48.0 158.0 5.2 165.0 1.0 166.0 30.7 167.0 5.2 170.0 4.0 171.0 3.1 180.0 1.2 185.0 3.8 198.0 3.6 199.0 43.0 200.0 5.2 213.0 1.7 227.0 2.7
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
Dimethyl sebacate(106-79-6) 13C NMR Atlas of Related Products