| SpectraBase Spectrum ID |
8GdLoXWcGdE |
| Name |
Succinic acid, hex-4-yn-3-yl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.111087186 u |
| Formula |
C16H17FO4 |
| InChI |
InChI=1S/C16H17FO4/c1-3-6-13(4-2)20-15(18)9-10-16(19)21-14-8-5-7-12(17)11-14/h5,7-8,11,13H,4,9-10H2,1-2H3 |
| InChIKey |
RXGDSFBAZQEQQX-UHFFFAOYSA-N |
| Molecular Weight |
292.306 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OC1=CC=CC(=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941845 |
