| SpectraBase Spectrum ID |
2OktGprek0m |
| Name |
Succinic acid, 2-chloro-6-fluorobenzyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.087764919 u |
| Formula |
C15H18ClFO4 |
| InChI |
InChI=1S/C15H18ClFO4/c1-10(2)8-20-14(18)6-7-15(19)21-9-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3 |
| InChIKey |
BTELQSNTMPDWAP-UHFFFAOYSA-N |
| Molecular Weight |
316.756 g/mol |
| SMILES |
C1=CC(=C(C(=C1)Cl)COC(=O)CCC(OCC(C)C)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811442 |
