| SpectraBase Spectrum ID |
3SfhZSLGY1G |
| Name |
3-Hydroxyxanthone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.023255842 u |
| Formula |
C17H7F7O4 |
| InChI |
InChI=1S/C17H7F7O4/c18-15(19,16(20,21)17(22,23)24)14(26)27-8-5-6-10-12(7-8)28-11-4-2-1-3-9(11)13(10)25/h1-7H |
| InChIKey |
WONNVIBMWQXMPO-UHFFFAOYSA-N |
| Molecular Weight |
408.228 g/mol |
| SMILES |
C1=2OC3=C(C(C2C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O)C=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814135 |
