| SpectraBase Compound ID | I9xJezn1pP5 |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-3-5-6-7-8-9-13-17-20(14-4-2)23-21(22)18-19-15-11-10-12-16-19/h10-12,15-16,20H,3-9,13-14,17-18H2,1-2H3 |
| InChIKey | IMLURWYVLWLZSY-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 | 3bMUyMRcvbA |
|---|---|
| Name | Benzeneacetic acid, 4-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/c1-3-5-6-7-8-9-13-17-20(14-4-2)23-21(22)18-19-15-11-10-12-16-19/h10-12,15-16,20H,3-9,13-14,17-18H2,1-2H3 |
| InChIKey | IMLURWYVLWLZSY-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C1=CC(CC(OC(CCC)CCCCCCCCC)=O)=CC=C1 |