| SpectraBase Compound ID | Kdkwaj4cJ1a |
|---|---|
| InChI | InChI=1S/C13H15ClO4/c1-2-17-12(15)4-3-5-13(16)18-11-8-6-10(14)7-9-11/h6-9H,2-5H2,1H3 |
| InChIKey | FYKIEMRIEBPPDA-UHFFFAOYSA-N |
| Mol Weight | 270.71 g/mol |
| Molecular Formula | C13H15ClO4 |
| Exact Mass | 270.065887 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IxCVRChTOdO |
|---|---|
| Name | Glutaric acid, 4-chlorophenyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.065886659 u |
| Formula | C13H15ClO4 |
| InChI | InChI=1S/C13H15ClO4/c1-2-17-12(15)4-3-5-13(16)18-11-8-6-10(14)7-9-11/h6-9H,2-5H2,1H3 |
| InChIKey | FYKIEMRIEBPPDA-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(OC(=O)CCCC(OCC)=O)C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875314 |