| SpectraBase Spectrum ID |
43kQchRgO43 |
| Name |
5'-Fluoro-2'-(heptafluorobutyryl)oxy-4-methoxychalcone (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.060784166 u |
| Formula |
C20H12F8O4 |
| InChI |
InChI=1S/C20H12F8O4/c1-31-13-6-2-11(3-7-13)4-8-15(29)14-10-12(21)5-9-16(14)32-17(30)18(22,23)19(24,25)20(26,27)28/h2-10H,1H3/b8-4+ |
| InChIKey |
SPPWDCRIYKGNGF-XBXARRHUSA-N |
| Molecular Weight |
468.299 g/mol |
| SMILES |
C1(=C(C=CC(=C1)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(\C=C\C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893774 |
