| SpectraBase Spectrum ID |
9WPPnGgcdnx |
| Name |
3,4-di(Heptafluorobytyryloxy)phenylacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.994082189 u |
| Formula |
C16H6F14O6 |
| InChI |
InChI=1S/C16H6F14O6/c17-11(18,13(21,22)15(25,26)27)9(33)35-6-2-1-5(4-8(31)32)3-7(6)36-10(34)12(19,20)14(23,24)16(28,29)30/h1-3H,4H2,(H,31,32) |
| InChIKey |
UHUDRDIKPYUMPS-UHFFFAOYSA-N |
| Molecular Weight |
560.196 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968518 |
