| SpectraBase Spectrum ID |
FPcjiO9YzGE |
| Name |
1,2-Benzendiol, o-(4-fluorobenzoyl)-o'-propionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.079787058 u |
| Formula |
C16H13FO4 |
| InChI |
InChI=1S/C16H13FO4/c1-2-15(18)20-13-5-3-4-6-14(13)21-16(19)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3 |
| InChIKey |
KFOBSYYGJWHRQN-UHFFFAOYSA-N |
| Molecular Weight |
288.274 g/mol |
| SMILES |
C1(=CC=CC=C1OC(C1=CC=C(C=C1)F)=O)OC(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812739 |
