| SpectraBase Compound ID | 1O6KJdHn3ur |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-15-18-24-21(22)19-16-13-14-17-20(19)23-2/h13-14,16-17H,3-12,15,18H2,1-2H3 |
| InChIKey | CAVXHIWURJXYIK-UHFFFAOYSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8dy4QFMzyNq |
|---|---|
| Name | o-Methoxybenzoic acid, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.250794952 u |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-15-18-24-21(22)19-16-13-14-17-20(19)23-2/h13-14,16-17H,3-12,15,18H2,1-2H3 |
| InChIKey | CAVXHIWURJXYIK-UHFFFAOYSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCC)C=1C=CC=CC1OC |