ETHYL HYDROGEN SEBACATE(693-55-0) MS
Product NameETHYL HYDROGEN SEBACATE
CAS693-55-0
Molecular FormulaC12H22O4
Molecular Weight230.3
InChIInChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKey DLZCDMPHHUODDO-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCCCCC(O)=O
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MassMS2003-02106WA ethyl hydrogen sebacate C12H22O4 (Mass of molecular ion: 230)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV comment: Pattern varies. Pattern of last period is recorded.
18.0 1.9 27.0 9.4 28.0 3.2 29.0 12.8 31.0 2.1 39.0 9.4 40.0 1.9 41.0 34.1 42.0 5.9 43.0 12.5 45.0 9.5 53.0 4.1 54.0 4.0 55.0 56.9 56.0 6.0 57.0 3.8 58.0 1.0 59.0 6.0 60.0 40.7 61.0 5.7 67.0 8.9 68.0 8.4 69.0 27.0 70.0 7.0 71.0 3.5 73.0 25.0 74.0 3.7 79.0 5.0 80.0 7.0 81.0 10.6 82.0 4.9 83.0 23.2 84.0 48.9 85.0 4.1 86.0 1.0 87.0 7.5 88.0 19.9 89.0 3.0 91.0 1.3 93.0 2.9 94.0 4.1 95.0 6.4 96.0 6.7 97.0 26.5 98.0 100.0 99.0 7.6 100.0 2.0 101.0 9.7 102.0 1.3 106.0 1.2 107.0 6.5 108.0 1.1 109.0 3.1 110.0 7.9 111.0 9.0 112.0 13.1 113.0 2.2 114.0 1.7 115.0 3.0 119.0 1.4 120.0 2.3 121.0 5.2 122.0 2.0 123.0 2.5 124.0 4.9 125.0 39.1 126.0 4.4 127.0 1.1 128.0 1.1 129.0 3.0 130.0 1.0 135.0 2.4 137.0 3.1 138.0 33.1 139.0 6.8 140.0 4.4 143.0 6.1 148.0 4.4 149.0 1.0 151.0 1.2 152.0 1.3 153.0 2.6 158.0 1.0 166.0 28.0 167.0 3.4 171.0 2.7 185.0 15.2 186.0 2.0 194.0 1.7 199.0 1.0 213.0 2.3
KBr disc
nujol mull
