| SpectraBase Spectrum ID |
1bQqHnoYf5l |
| Name |
Catechol, o-chlorodifluoroacetate-o'-trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.971827120 u |
| Formula |
C10H4ClF5O4 |
| InChI |
InChI=1S/C10H4ClF5O4/c11-9(12,13)7(17)19-5-3-1-2-4-6(5)20-8(18)10(14,15)16/h1-4H |
| InChIKey |
YTEDIPRWGLROGN-UHFFFAOYSA-N |
| Molecular Weight |
318.583 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C(F)(F)Cl)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97736 |
