| SpectraBase Spectrum ID |
3AtMG3Smtvk |
| Name |
2',4'-Dihydroxy-4-methoxychalcone, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.053807078 u |
| Formula |
C20H12F6O6 |
| InChI |
InChI=1S/C20H12F6O6/c1-30-12-5-2-11(3-6-12)4-9-15(27)14-8-7-13(31-17(28)19(21,22)23)10-16(14)32-18(29)20(24,25)26/h2-10H,1H3/b9-4+ |
| InChIKey |
RZQLPUCOIWDPGX-RUDMXATFSA-N |
| Molecular Weight |
462.300 g/mol |
| SMILES |
C1(=CC=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948233 |
