| SpectraBase Spectrum ID |
AoHLvGJFXAx |
| Name |
5-Bromo-2-hydroxybenzyl alcohol, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.921153267 u |
| Formula |
C13H5BrF10O4 |
| InChI |
InChI=1S/C13H5BrF10O4/c14-6-1-2-7(28-9(26)11(17,18)13(22,23)24)5(3-6)4-27-8(25)10(15,16)12(19,20)21/h1-3H,4H2 |
| InChIKey |
PFQQFEFDFVAAAY-UHFFFAOYSA-N |
| Molecular Weight |
495.067 g/mol |
| SMILES |
C1(=C(C=CC(=C1)Br)OC(C(C(F)(F)F)(F)F)=O)COC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883813 |
