| SpectraBase Compound ID | Gm7MUd5uJOA |
|---|---|
| InChI | InChI=1S/C14H17ClO4/c1-2-18-13(16)4-3-5-14(17)19-10-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | RRNVKKHVARLCGL-UHFFFAOYSA-N |
| Mol Weight | 284.74 g/mol |
| Molecular Formula | C14H17ClO4 |
| Exact Mass | 284.081537 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3OmbEZd2XAI |
|---|---|
| Name | Glutaric acid, 4-chlorobenzyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.081536723 u |
| Formula | C14H17ClO4 |
| InChI | InChI=1S/C14H17ClO4/c1-2-18-13(16)4-3-5-14(17)19-10-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | RRNVKKHVARLCGL-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)COC(=O)CCCC(OCC)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867607 |