TRICAPRIN(621-71-6) IR1
Molecular FormulaC33H62O6
Molecular Weight554.84
InChIInChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKey LADGBHLMCUINGV-UHFFFAOYSA-N
SmilesC(OC(=O)CCCCCCCCC)C(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
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MassMS-NW-0516 tricaprin C33H62O6 (Mass of molecular ion: 554)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 2.8 27.0 6.2 28.0 2.4 29.0 11.4 30.0 2.9 39.0 3.5 41.0 20.4 42.0 5.3 43.0 39.9 44.0 1.4 45.0 1.3 53.0 1.0 54.0 2.2 55.0 17.2 56.0 6.2 57.0 34.2 58.0 1.8 60.0 13.7 61.0 3.3 67.0 4.0 68.0 2.7 69.0 13.0 70.0 4.7 71.0 34.4 72.0 2.1 73.0 12.1 74.0 2.6 79.0 1.0 81.0 6.0 82.0 2.6 83.0 7.2 84.0 10.4 85.0 16.7 86.0 1.3 87.0 3.0 95.0 5.7 96.0 1.4 97.0 4.7 98.0 12.7 99.0 2.3 100.0 2.0 101.0 1.6 109.0 1.1 110.0 2.0 111.0 2.8 112.0 6.1 113.0 2.1 115.0 2.1 116.0 2.4 117.0 1.4 125.0 1.2 126.0 2.2 127.0 1.9 129.0 7.5 135.0 1.2 137.0 1.4 140.0 1.8 143.0 2.0 153.0 1.6 154.0 5.4 155.0 100.0 156.0 11.1 157.0 1.1 158.0 6.1 171.0 5.6 172.0 3.4 173.0 3.8 185.0 1.9 186.0 1.0 196.0 1.8 201.0 1.5 210.0 1.0 213.0 1.5 215.0 2.2 227.0 9.5 228.0 5.1 229.0 22.6 230.0 3.3 247.0 1.6 257.0 1.4 270.0 15.4 271.0 7.9 272.0 1.2 283.0 16.3 284.0 3.2 289.0 1.1 297.0 1.9 308.0 1.0 325.0 2.2 326.0 1.0 339.0 6.8 340.0 2.8 353.0 1.7 354.0 1.6 355.0 1.0 369.0 11.3 370.0 2.8 381.0 2.0 382.0 19.8 383.0 46.2 384.0 11.7 385.0 1.8 401.0 2.5 424.0 1.4 442.0 1.9
CCl4 solution
KBr disc
liquid film
nujol mull
