| SpectraBase Spectrum ID |
AgdtxoIFD3v |
| Name |
Phloroglucinol, tris(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.978591278 u |
| Formula |
C12H3F9O6 |
| InChI |
InChI=1S/C12H3F9O6/c13-10(14,15)7(22)25-4-1-5(26-8(23)11(16,17)18)3-6(2-4)27-9(24)12(19,20)21/h1-3H |
| InChIKey |
IEOPDDSLKBQHLG-UHFFFAOYSA-N |
| Molecular Weight |
414.136 g/mol |
| SMILES |
C1=C(C=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919819 |
