| SpectraBase Spectrum ID |
5NwWHysdr7Q |
| Name |
3-Hydroxybenzyl alcohol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.004252951 u |
| Formula |
C15H6F14O4 |
| InChI |
InChI=1S/C15H6F14O4/c16-10(17,12(20,21)14(24,25)26)8(30)32-5-6-2-1-3-7(4-6)33-9(31)11(18,19)13(22,23)15(27,28)29/h1-4H,5H2 |
| InChIKey |
SWKUBRXBUQUXDF-UHFFFAOYSA-N |
| Molecular Weight |
516.187 g/mol |
| SMILES |
C1=C(C=CC=C1COC(=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) |
0.947391 |
