| SpectraBase Compound ID | DcP0wWSjhss |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-2-19-14(17)6-4-3-5-7-15(18)20-13-10-8-12(16)9-11-13/h8-11H,2-7H2,1H3 |
| InChIKey | ZHANIAQPYFULIM-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7f8sIbW1urJ |
|---|---|
| Name | Pimelic 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 | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-2-19-14(17)6-4-3-5-7-15(18)20-13-10-8-12(16)9-11-13/h8-11H,2-7H2,1H3 |
| InChIKey | ZHANIAQPYFULIM-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=C(C=C1)Cl)(=O)CCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917322 |