| SpectraBase Compound ID | A9FGc0cFJjw |
|---|---|
| InChI | InChI=1S/C20H25ClO2/c21-14-7-3-1-2-4-8-15-23-20(22)16-18-12-9-11-17-10-5-6-13-19(17)18/h5-6,9-13H,1-4,7-8,14-16H2 |
| InChIKey | IIAVWHJSSYHUCD-UHFFFAOYSA-N |
| Mol Weight | 332.87 g/mol |
| Molecular Formula | C20H25ClO2 |
| Exact Mass | 332.154308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0vaw6ZNmWJ |
|---|---|
| Name | 1-Naphthaleneacetic acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.154307743 u |
| Formula | C20H25ClO2 |
| InChI | InChI=1S/C20H25ClO2/c21-14-7-3-1-2-4-8-15-23-20(22)16-18-12-9-11-17-10-5-6-13-19(17)18/h5-6,9-13H,1-4,7-8,14-16H2 |
| InChIKey | IIAVWHJSSYHUCD-UHFFFAOYSA-N |
| Molecular Weight | 332.871 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCCCCCCCCCl |