| SpectraBase Spectrum ID |
F12BPaVTP9S |
| Name |
2'-(Heptafluorobutyryl)oxy-6'-methyl-3,4-methylenedioxychalcone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.065120655 u |
| Formula |
C21H13F7O5 |
| InChI |
InChI=1S/C21H13F7O5/c1-11-3-2-4-15(33-18(30)19(22,23)20(24,25)21(26,27)28)17(11)13(29)7-5-12-6-8-14-16(9-12)32-10-31-14/h2-9H,10H2,1H3/b7-5+ |
| InChIKey |
LLQPGRBNNIHLPB-FNORWQNLSA-N |
| Molecular Weight |
478.319 g/mol |
| SMILES |
C1(=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927105 |
