| SpectraBase Spectrum ID |
20HuKo2HOnW |
| Name |
2,2'-Dihydroxy-4',6'-dimethoxychalcone, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.064371762 u |
| Formula |
C21H14F6O7 |
| InChI |
InChI=1S/C21H14F6O7/c1-31-12-9-15(32-2)17(16(10-12)34-19(30)21(25,26)27)13(28)8-7-11-5-3-4-6-14(11)33-18(29)20(22,23)24/h3-10H,1-2H3/b8-7+ |
| InChIKey |
GONVCMCNACAFHT-BQYQJAHWSA-N |
| Molecular Weight |
492.326 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OC(C(F)(F)F)=O)C(\C=C\C1=CC=CC=C1OC(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909487 |
