| SpectraBase Spectrum ID |
Ch0Cxgjl9RD |
| Name |
3,2'-Dihydroxy-4,4',6'-trimethoxychalcone, bis(trifluoroacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.074936445 u |
| Formula |
C22H16F6O8 |
| InChI |
InChI=1S/C22H16F6O8/c1-32-12-9-16(34-3)18(17(10-12)36-20(31)22(26,27)28)13(29)6-4-11-5-7-14(33-2)15(8-11)35-19(30)21(23,24)25/h4-10H,1-3H3/b6-4+ |
| InChIKey |
LBCGIPOFJZSQML-GQCTYLIASA-N |
| Molecular Weight |
522.352 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OC(C(F)(F)F)=O)C(\C=C\C1=CC=C(C(=C1)OC(C(F)(F)F)=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907134 |
