| SpectraBase Spectrum ID |
H7H234LrHJf |
| Name |
1,4-Dioxan-2,5-diol, di(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.006856885 u |
| Formula |
C8H6F6O6 |
| InChI |
InChI=1S/C8H6F6O6/c9-7(10,11)5(15)19-3-1-17-4(2-18-3)20-6(16)8(12,13)14/h3-4H,1-2H2 |
| InChIKey |
PJHBSNQJAOOFTH-UHFFFAOYSA-N |
| Molecular Weight |
312.120 g/mol |
| SMILES |
C1(COC(CO1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890019 |
