trioleyl phosphate(3305-68-8) IR1
Product Nametrioleyl phosphate
CAS3305-68-8
Molecular FormulaC54H105O4P
Molecular Weight849.38
InChIInChI=1S/C54H105O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-59(55,57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey SVETUDAIEHYIKZ-IUPFWZBJSA-N
SmilesP(OCCCCCCCC/C=C\CCCCCCCC)(OCCCCCCCC/C=C\CCCCCCCC)(OCCCCCCCC/C=C\CCCCCCCC)=O
400 MHz in CDCl3
-
1H NMR 399.65 MHz C54 H105 O4 P 0.05 ml : 0.5 ml CDCl3 tris(cis-9-octadecenyl) phosphate 
Assign. Shift(ppm)
A 5.39 to 5.30 B 4.020 C 2.01 D 1.667 E 1.38 to 1.24 F 0.879
Hz ppm Int.2149.66 5.379 32 2141.11 5.358 93 2138.55 5.352 75 2137.45 5.349 85 2135.38 5.344 226 2132.93 5.337 81 2131.84 5.335 95 2129.76 5.330 89 1617.19 4.047 92 1610.47 4.030 256 1603.52 4.013 267 1596.80 3.996 105 813.48 2.036 75 807.01 2.020 206 801.27 2.005 203 794.43 1.988 106 789.18 1.975 34 674.68 1.689 87 667.60 1.671 126 660.28 1.653 109 653.56 1.636 44 538.21 1.347 193 518.80 1.299 579 515.75 1.291 564 506.84 1.269 899 503.05 1.259 1000 358.64 0.898 195 352.05 0.881 590 348.02 0.871 96 344.97 0.864 251 341.43 0.855 54
in CDCl3
liquid film
