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METHYL CIS-9,10-METHYLENEOCTADECANOATE(3971-54-8) IR1
Product NameMETHYL CIS-9,10-METHYLENEOCTADECANOATE
CAS3971-54-8
Molecular FormulaC20H38O2
Molecular Weight310.51
InChIInChI=1/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/s3
InChIKey WKDUVICSOMXTKJ-ZUMOKTPVNA-N
Smiles[C@@H]1(CCCCCCCC(OC)=O)C[C@@H]1CCCCCCCC |&1:0,13,r|
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MassMS-IW-1915 methyl cis-8-(2-octylcyclopropyl)octanoate C20H38O2 (Mass of molecular ion: 310)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 4.5 27.0 9.9 28.0 3.7 29.0 25.0 31.0 1.0 39.0 10.8 40.0 2.3 41.0 76.2 42.0 14.3 43.0 60.5 44.0 2.3 45.0 3.4 53.0 9.5 54.0 27.4 55.0 100.0 56.0 34.1 57.0 40.9 58.0 2.3 59.0 17.4 60.0 2.2 61.0 1.0 65.0 2.5 66.0 3.0 67.0 48.2 68.0 34.4 69.0 88.7 70.0 31.5 71.0 19.8 72.0 1.9 73.0 7.3 74.0 76.5 75.0 13.7 77.0 3.1 78.0 1.4 79.0 11.6 80.0 8.5 81.0 50.0 82.0 38.1 83.0 73.9 84.0 54.4 85.0 15.0 86.0 1.3 87.0 53.0 88.0 6.2 91.0 3.8 92.0 1.4 93.0 8.0 94.0 10.9 95.0 42.3 96.0 66.4 97.0 66.7 98.0 48.6 99.0 8.0 100.0 1.7 101.0 11.8 102.0 1.7 105.0 2.5 106.0 1.2 107.0 6.5 108.0 8.1 109.0 25.4 110.0 37.5 111.0 37.7 112.0 18.0 113.0 6.1 114.0 7.2 115.0 12.0 116.0 2.7 119.0 5.0 120.0 2.4 121.0 9.6 122.0 5.1 123.0 22.8 124.0 19.9 125.0 21.4 126.0 6.9 127.0 6.9 128.0 9.4 129.0 10.8 130.0 4.4 131.0 1.1 133.0 4.8 134.0 5.3 135.0 11.6 136.0 5.2 137.0 17.3 138.0 25.6 139.0 25.0 140.0 6.0 141.0 13.9 142.0 4.3 143.0 15.2 144.0 2.7 147.0 4.2 148.0 4.7 149.0 6.5 150.0 5.1 151.0 13.2 152.0 20.0 153.0 18.7 154.0 5.3 155.0 5.2 156.0 1.8 157.0 7.3 158.0 2.1 161.0 3.5 162.0 1.8 163.0 3.8 164.0 3.8 165.0 10.6 166.0 11.9 167.0 7.4 168.0 4.3 169.0 4.1 170.0 1.7 171.0 9.4 172.0 2.0 173.0 1.1 175.0 2.4 177.0 2.2 178.0 3.7 179.0 6.5 180.0 12.1 181.0 5.5 182.0 2.2 183.0 5.5 184.0 1.4 185.0 9.2 186.0 2.2 187.0 1.6 189.0 1.4 191.0 1.5 192.0 4.0 193.0 4.7 194.0 18.4 195.0 5.5 196.0 2.1 197.0 3.9 198.0 1.4 199.0 4.7 200.0 2.2 201.0 1.3 205.0 1.3 206.0 1.5 207.0 3.9 208.0 6.0 209.0 2.5 210.0 1.7 211.0 1.9 212.0 1.2 213.0 3.8 214.0 2.0 220.0 1.9 221.0 4.3 222.0 6.8 223.0 3.1 224.0 6.6 225.0 2.1 227.0 2.9 228.0 2.1 234.0 8.5 235.0 6.1 236.0 21.6 237.0 7.0 238.0 1.4 239.0 1.5 241.0 1.5 242.0 1.2 249.0 3.9 250.0 7.7 251.0 3.4 253.0 1.2 255.0 1.8 256.0 1.6 260.0 5.6 261.0 2.7 263.0 1.0 264.0 10.8 265.0 4.6 266.0 1.0 267.0 2.8 270.0 2.3 277.0 1.2 278.0 90.3 279.0 34.5 280.0 5.7 281.0 1.5 282.0 1.6 284.0 2.1 291.0 1.7 292.0 2.0 296.0 3.9 297.0 1.0 298.0 6.4 299.0 1.4 308.0 1.7 310.0 16.4 311.0 4.2 312.0 1.1 322.0 2.3
liquid film
