TRIPALMITIN(555-44-2) MS
Product NameTRIPALMITIN
CAS555-44-2
Molecular FormulaC51H98O6
Molecular Weight807.32
InChIInChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey PVNIQBQSYATKKL-UHFFFAOYSA-N
SmilesC(OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
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MassMS-NW-0608 propane-1,2,3-triyl tripalmitate C51H98O6 (Mass of molecular ion: 806)
Source Temperature: 260 °C Sample Temperature: 240 °C Direct, 75 eV
18.0 4.2 26.0 1.2 27.0 8.8 28.0 3.6 29.0 18.0 39.0 6.2 40.0 1.4 41.0 41.8 42.0 9.7 43.0 76.3 44.0 4.8 45.0 2.0 53.0 2.5 54.0 6.6 55.0 49.8 56.0 16.7 57.0 100.0 58.0 5.4 59.0 2.1 60.0 33.3 61.0 9.6 67.0 12.0 68.0 7.5 69.0 39.1 70.0 12.7 71.0 59.9 72.0 3.6 73.0 39.2 74.0 4.4 79.0 2.7 80.0 1.9 81.0 14.7 82.0 8.7 83.0 35.4 84.0 25.9 85.0 39.2 86.0 3.0 87.0 7.9 88.0 1.3 93.0 2.7 94.0 1.8 95.0 19.0 96.0 7.3 97.0 25.8 98.0 51.2 99.0 11.6 100.0 8.1 101.0 6.0 102.0 1.7 107.0 2.1 108.0 1.1 109.0 11.0 110.0 3.6 111.0 14.0 112.0 15.7 113.0 9.3 114.0 1.4 115.0 6.6 116.0 7.2 117.0 3.5 121.0 3.1 123.0 5.9 124.0 2.1 125.0 6.1 126.0 4.4 127.0 4.3 129.0 19.3 130.0 2.0 135.0 2.5 137.0 3.2 138.0 1.6 139.0 3.2 140.0 2.4 141.0 3.0 143.0 2.7 149.0 1.3 151.0 1.4 152.0 1.3 153.0 2.0 154.0 2.6 155.0 2.4 157.0 4.8 158.0 9.9 159.0 1.6 167.0 1.3 168.0 1.6 169.0 1.9 171.0 15.1 172.0 2.3 182.0 1.4 183.0 1.8 185.0 6.5 186.0 1.2 194.0 2.0 195.0 1.2 196.0 1.5 197.0 1.4 199.0 2.3 211.0 1.0 213.0 9.4 214.0 1.7 227.0 7.0 228.0 1.4 236.0 1.5 237.0 2.4 238.0 7.7 239.0 95.0 240.0 16.8 241.0 2.7 253.0 1.1 255.0 2.0 256.0 9.3 257.0 2.5 269.0 2.5 280.0 2.6 281.0 2.6 283.0 1.8 294.0 2.1 295.0 1.0 296.0 1.0 297.0 2.8 299.0 1.3 311.0 5.3 312.0 3.9 313.0 40.9 314.0 8.8 315.0 1.5 325.0 1.4 331.0 1.7 339.0 1.8 354.0 16.2 355.0 9.5 356.0 2.0 367.0 54.1 368.0 13.8 369.0 2.2 381.0 3.5 382.0 1.2 395.0 1.1 409.0 6.5 410.0 2.2 423.0 15.2 424.0 5.4 425.0 1.1 437.0 2.2 438.0 1.1 451.0 3.2 452.0 1.3 465.0 3.9 466.0 1.7 479.0 2.7 480.0 1.2 493.0 1.6 494.0 1.1 507.0 8.6 508.0 3.3 521.0 3.0 522.0 1.7 537.0 1.7 549.0 3.1 550.0 19.8 551.0 46.2 552.0 17.2 553.0 3.6 592.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C51 H98 O6 0.043 g : 0.5 ml CDCl3 propane-1,2,3-triyl tripalmitate 
Assign. Shift(ppm)
A *1 4.29 B 4.02 C *1 4.20 D 2.32 E 1.62 F 1.26 G 0.88
Hz ppm Int.207.25 2.315 28 199.94 2.233 21 199.81 2.232 21 112.69 1.259 1000 83.94 0.938 21 78.81 0.880 65
in CDCl3
CCl4 solution
KBr disc
nujol mull
