| SpectraBase Spectrum ID |
Bqdx6nLyPwO |
| Name |
4'-Hydroxyflavanone, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.060943319 u |
| Formula |
C17H11F3O4 |
| InChI |
InChI=1S/C17H11F3O4/c18-17(19,20)16(22)23-11-7-5-10(6-8-11)15-9-13(21)12-3-1-2-4-14(12)24-15/h1-8,15H,9H2 |
| InChIKey |
IGLOSYDOJMVLDO-UHFFFAOYSA-N |
| Molecular Weight |
336.266 g/mol |
| SMILES |
C1(OC2=C(C(C1)=O)C=CC=C2)C1=CC=C(OC(C(F)(F)F)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818728 |
