| SpectraBase Spectrum ID |
9jU6SSgWuHl |
| Name |
3,4-di(Trifluoroacetyloxy)phenylacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.006856885 u |
| Formula |
C12H6F6O6 |
| InChI |
InChI=1S/C12H6F6O6/c13-11(14,15)9(21)23-6-2-1-5(4-8(19)20)3-7(6)24-10(22)12(16,17)18/h1-3H,4H2,(H,19,20) |
| InChIKey |
PAAQNHJNKUDFES-UHFFFAOYSA-N |
| Molecular Weight |
360.164 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)CC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983964 |
