| SpectraBase Spectrum ID |
8aneKFjFOjN |
| Name |
3-Hydroxybenzaldehyde, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.012691159 u |
| Formula |
C11H5F7O3 |
| InChI |
InChI=1S/C11H5F7O3/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-3-1-2-6(4-7)5-19/h1-5H |
| InChIKey |
NDQYMZFRZHCERO-UHFFFAOYSA-N |
| Molecular Weight |
318.147 g/mol |
| SMILES |
C(=O)C1=CC(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960482 |
