| SpectraBase Spectrum ID |
LSMhhbE927w |
| Name |
4'-Hydroxyflavone, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.015742792 u |
| Formula |
C17H9ClF2O4 |
| InChI |
InChI=1S/C17H9ClF2O4/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/h1-9H |
| InChIKey |
BWJMZBQKEGFMAV-UHFFFAOYSA-N |
| Molecular Weight |
350.705 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(C(F)(F)Cl)=O)C1=CC(C2=CC=CC=C2O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890456 |
