| SpectraBase Compound ID | D6Gd2fPibd4 |
|---|---|
| InChI | InChI=1S/C14H19ClO3/c1-17-13-8-6-12(7-9-13)14(16)18-11-5-3-2-4-10-15/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | WJTUXXIHPIQKMG-UHFFFAOYSA-N |
| Mol Weight | 270.76 g/mol |
| Molecular Formula | C14H19ClO3 |
| Exact Mass | 270.102272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FpEacw1WcVe |
|---|---|
| Name | 4-Methoxybenzoic acid, 6-chlorohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.102272169 u |
| Formula | C14H19ClO3 |
| InChI | InChI=1S/C14H19ClO3/c1-17-13-8-6-12(7-9-13)14(16)18-11-5-3-2-4-10-15/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | WJTUXXIHPIQKMG-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC)C(=O)OCCCCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862886 |