| SpectraBase Spectrum ID |
1ZVL0GNHrrM |
| Name |
1,4-Dioxane-2,3-diol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.994082189 u |
| Formula |
C12H6F14O6 |
| InChI |
InChI=1S/C12H6F14O6/c13-7(14,9(17,18)11(21,22)23)5(27)31-3-4(30-2-1-29-3)32-6(28)8(15,16)10(19,20)12(24,25)26/h3-4H,1-2H2 |
| InChIKey |
ORCFXVKIIBFIHK-UHFFFAOYSA-N |
| Molecular Weight |
512.152 g/mol |
| SMILES |
C1(C(OCCO1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890463 |
