| SpectraBase Compound ID | G0M4N9jRMbc |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-3-5-6-7-8-9-10-14-17-20(4-2)23-21(22)18-19-15-12-11-13-16-19/h11-13,15-16,20H,3-10,14,17-18H2,1-2H3 |
| InChIKey | FRRRQHNVJFVYDX-UHFFFAOYSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JwybpWXwwH |
|---|---|
| Name | Benzeneacetic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-3-5-6-7-8-9-10-14-17-20(4-2)23-21(22)18-19-15-12-11-13-16-19/h11-13,15-16,20H,3-10,14,17-18H2,1-2H3 |
| InChIKey | FRRRQHNVJFVYDX-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C1=CC(CC(OC(CC)CCCCCCCCCC)=O)=CC=C1 |