| SpectraBase Spectrum ID |
5JAhFeqGQx0 |
| Name |
Succinic acid, 2-chloro-6-fluorobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.056464790 u |
| Formula |
C13H14ClFO4 |
| InChI |
InChI=1S/C13H14ClFO4/c1-2-18-12(16)6-7-13(17)19-8-9-10(14)4-3-5-11(9)15/h3-5H,2,6-8H2,1H3 |
| InChIKey |
XHJYSCAYZYMIIO-UHFFFAOYSA-N |
| Molecular Weight |
288.702 g/mol |
| SMILES |
C1=CC(=C(C(=C1)Cl)COC(=O)CCC(OCC)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928214 |
