| SpectraBase Spectrum ID |
3T4rfv5k8OI |
| Name |
3,4'-Dimethoxy-2-hydroxychalcone, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.083964393 u |
| Formula |
C20H15F5O5 |
| InChI |
InChI=1S/C20H15F5O5/c1-28-14-9-6-12(7-10-14)15(26)11-8-13-4-3-5-16(29-2)17(13)30-18(27)19(21,22)20(23,24)25/h3-11H,1-2H3/b11-8+ |
| InChIKey |
VTIUCCBWRHBMCV-DHZHZOJOSA-N |
| Molecular Weight |
430.327 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC)C(\C=C\C1=C(C(=CC=C1)OC)OC(C(C(F)(F)F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86775 |
