| SpectraBase Spectrum ID |
6VocgLIdU6j |
| Name |
3,4-di(Pentafluoropropionyloxy)phenylacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.000469537 u |
| Formula |
C14H6F10O6 |
| InChI |
InChI=1S/C14H6F10O6/c15-11(16,13(19,20)21)9(27)29-6-2-1-5(4-8(25)26)3-7(6)30-10(28)12(17,18)14(22,23)24/h1-3H,4H2,(H,25,26) |
| InChIKey |
SHFBINAYSWAGMW-UHFFFAOYSA-N |
| Molecular Weight |
460.180 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)CC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965971 |
