| SpectraBase Spectrum ID |
2K1O8HYSwOT |
| Name |
Hexitol, 1,3,4,6-tetraacetate 2,5-dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
558.173726394 u |
| Formula |
C28H30O12 |
| InChI |
InChI=1S/C28H30O12/c1-17(29)35-15-23(39-27(33)21-11-7-5-8-12-21)25(37-19(3)31)26(38-20(4)32)24(16-36-18(2)30)40-28(34)22-13-9-6-10-14-22/h5-14,23-26H,15-16H2,1-4H3 |
| InChIKey |
AJAKPXSQOSJCFG-UHFFFAOYSA-N |
| Molecular Weight |
558.536 g/mol |
| SMILES |
C(C(C(OC(=O)C1=CC=CC=C1)COC(C)=O)OC(C)=O)(C(OC(=O)C1=CC=CC=C1)COC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949086 |
