| SpectraBase Spectrum ID |
IUqk3naRMxU |
| Name |
5-Bromo-2-hydroxybenzyl alcohol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
593.914765919 u |
| Formula |
C15H5BrF14O4 |
| InChI |
InChI=1S/C15H5BrF14O4/c16-6-1-2-7(34-9(32)11(19,20)13(23,24)15(28,29)30)5(3-6)4-33-8(31)10(17,18)12(21,22)14(25,26)27/h1-3H,4H2 |
| InChIKey |
URDSXNBHYUATFX-UHFFFAOYSA-N |
| Molecular Weight |
595.083 g/mol |
| SMILES |
C1(=C(C=CC(=C1)Br)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929645 |
