| SpectraBase Spectrum ID |
3dCahOTcbMO |
| Name |
2'-Hydroxy-2-methoxychalcone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.076593384 u |
| Formula |
C18H13F3O4 |
| InChI |
InChI=1S/C18H13F3O4/c1-24-15-8-4-2-6-12(15)10-11-14(22)13-7-3-5-9-16(13)25-17(23)18(19,20)21/h2-11H,1H3/b11-10+ |
| InChIKey |
FKFYFOPFJYSJQA-ZHACJKMWSA-N |
| Molecular Weight |
350.293 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C(F)(F)F)=O)C(\C=C\C1=CC=CC=C1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803777 |
