| SpectraBase Spectrum ID |
FjoDrUqsYZu |
| Name |
Glutaric acid, 2-fluorophenyl 2,3,5-trichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.978520125 u |
| Formula |
C17H12Cl3FO4 |
| InChI |
InChI=1S/C17H12Cl3FO4/c18-10-8-11(19)17(20)14(9-10)25-16(23)7-3-6-15(22)24-13-5-2-1-4-12(13)21/h1-2,4-5,8-9H,3,6-7H2 |
| InChIKey |
PLYNOYNGUJQOGJ-UHFFFAOYSA-N |
| Molecular Weight |
405.636 g/mol |
| SMILES |
C(CCC(OC1=CC=CC=C1F)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848077 |
