| SpectraBase Spectrum ID |
BAE4eae6Ggi |
| Name |
Glutaric acid, 2-fluorophenyl 3-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.056464790 u |
| Formula |
C17H14ClFO4 |
| InChI |
InChI=1S/C17H14ClFO4/c18-12-5-3-6-13(11-12)22-16(20)9-4-10-17(21)23-15-8-2-1-7-14(15)19/h1-3,5-8,11H,4,9-10H2 |
| InChIKey |
ITSVIMTUSGRGPG-UHFFFAOYSA-N |
| Molecular Weight |
336.746 g/mol |
| SMILES |
C(CCC(OC1=CC=CC=C1F)=O)C(OC1=CC=CC(=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955568 |
