| SpectraBase Compound ID | DnbWLTp7y3Z |
|---|---|
| InChI | InChI=1S/C21H28O2/c1-2-3-4-5-6-7-10-16-23-21(22)17-19-14-11-13-18-12-8-9-15-20(18)19/h8-9,11-15H,2-7,10,16-17H2,1H3 |
| InChIKey | AXLYBMCQOTXEIC-UHFFFAOYSA-N |
| Mol Weight | 312.45 g/mol |
| Molecular Formula | C21H28O2 |
| Exact Mass | 312.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oVZT3W8RwL |
|---|---|
| Name | 1-Naphthaleneacetic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.208930140 u |
| Formula | C21H28O2 |
| InChI | InChI=1S/C21H28O2/c1-2-3-4-5-6-7-10-16-23-21(22)17-19-14-11-13-18-12-8-9-15-20(18)19/h8-9,11-15H,2-7,10,16-17H2,1H3 |
| InChIKey | AXLYBMCQOTXEIC-UHFFFAOYSA-N |
| Molecular Weight | 312.453 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCCCCCCCCC |