GLYCERYL TRIBENZOATE(614-33-5) IR2
Product NameGLYCERYL TRIBENZOATE
CAS614-33-5
Molecular FormulaC24H20O6
Molecular Weight404.41
InChIInChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChIKey HIZCTWCPHWUPFU-UHFFFAOYSA-N
SmilesC(OC(=O)C1=CC=CC=C1)C(OC(=O)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1
-
MassMS-NW-6492 propane-1,2,3-triyl tribenzoate C24H20O6 (Mass of molecular ion: 404)
Source Temperature: 120 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 2.4 51.0 2.7 77.0 13.7 78.0 1.2 105.0 100.0 106.0 8.0 177.0 2.7 269.0 1.7 282.0 17.8 283.0 3.6
90 MHz in CDCl3
-
1H NMR 89.56 MHz C24 H20 O6 0.040 g : 0.5 ml CDCl3 propane-1,2,3-triyl tribenzoate 
Assign. Shift(ppm)
A 8.18 to 7.90 B 7.69 to 7.28 C 5.83 D *1 4.75 E *1 4.69 J(C,D)=4.5HZ. J(C,E)=5.7HZ. J(D,E)=-12.2HZ.
Hz ppm Int.726.69 8.115 282 725.00 8.096 375 724.38 8.089 611 722.81 8.071 699 721.81 8.060 265 721.13 8.052 300 720.63 8.047 290 718.81 8.027 454 716.81 8.004 845 714.63 7.980 779 685.19 7.651 112 683.50 7.632 100 678.13 7.572 275 677.31 7.563 346 674.63 7.533 189 673.13 7.516 461 671.25 7.495 965 670.63 7.489 1000 670.06 7.482 988 668.44 7.464 444 666.50 7.442 180 665.81 7.435 262 664.25 7.417 330 663.19 7.405 643 662.75 7.401 701 661.19 7.383 177 658.31 7.351 113 657.38 7.341 130 656.69 7.333 219 655.69 7.322 116 654.50 7.308 105 653.94 7.302 159 527.06 5.885 101 522.31 5.832 165 521.50 5.823 110 516.81 5.771 116 425.63 4.753 721 424.88 4.745 733 420.94 4.701 577 419.25 4.682 609
in CDCl3
KBr disc
nujol mull
