| SpectraBase Spectrum ID |
11AYHnmf3st |
| Name |
Succinic acid, 3-chlorophenyl 2-fluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.040814725 u |
| Formula |
C12H12ClFO4 |
| InChI |
InChI=1S/C12H12ClFO4/c13-9-2-1-3-10(8-9)18-12(16)5-4-11(15)17-7-6-14/h1-3,8H,4-7H2 |
| InChIKey |
LJEYTRNHKVESAT-UHFFFAOYSA-N |
| Molecular Weight |
274.675 g/mol |
| SMILES |
C(CC(OC1=CC(=CC=C1)Cl)=O)C(OCCF)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881594 |
