| SpectraBase Spectrum ID |
9yanep4oOvr |
| Name |
1,4-Dioxane-2,3-diol, chlorodifluoroacetate, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.977306422 u |
| Formula |
C8H6ClF5O6 |
| InChI |
InChI=1S/C8H6ClF5O6/c9-7(10,11)5(15)19-3-4(18-2-1-17-3)20-6(16)8(12,13)14/h3-4H,1-2H2 |
| InChIKey |
LFDUQHBYCNNQOV-UHFFFAOYSA-N |
| Molecular Weight |
328.575 g/mol |
| SMILES |
C1(C(OCCO1)OC(C(F)(F)Cl)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904464 |
