| SpectraBase Spectrum ID |
7w5poss2KSY |
| Name |
3,4-di(Trifluoroacetyloxy)phenylacetic acid, trifluoroacetic acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.989155961 u |
| Formula |
C14H5F9O7 |
| InChI |
InChI=1S/C14H5F9O7/c15-12(16,17)9(25)28-6-2-1-5(3-7(6)29-10(26)13(18,19)20)4-8(24)30-11(27)14(21,22)23/h1-3H,4H2 |
| InChIKey |
KAMIGODVUZBCAO-UHFFFAOYSA-N |
| Molecular Weight |
456.173 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)CC(=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976582 |
