| SpectraBase Spectrum ID |
7Oyp7bOxZDp |
| Name |
4-Acetyl-2,6-dimethoxyphenyl 2,2,3,3,3-pentafluoropropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.052664264 u |
| Formula |
C13H11F5O5 |
| InChI |
InChI=1S/C13H11F5O5/c1-6(19)7-4-8(21-2)10(9(5-7)22-3)23-11(20)12(14,15)13(16,17)18/h4-5H,1-3H3 |
| InChIKey |
KBYQEQDVILYJTP-UHFFFAOYSA-N |
| Molecular Weight |
342.218 g/mol |
| SMILES |
COC1=C(OC(C(C(F)(F)F)(F)F)=O)C(OC)=CC(=C1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899775 |
