| SpectraBase Compound ID | 2iOn9BTETOP |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-4-5-6-7-8-9-10-11-12-15-18(2)24-21(22)19-16-13-14-17-20(19)23-3/h13-14,16-18H,4-12,15H2,1-3H3 |
| InChIKey | ZYWRIFPFSBZDDJ-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 | Kxb5c6D87WG |
|---|---|
| Name | o-Anisic acid, 2-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/c1-4-5-6-7-8-9-10-11-12-15-18(2)24-21(22)19-16-13-14-17-20(19)23-3/h13-14,16-18H,4-12,15H2,1-3H3 |
| InChIKey | ZYWRIFPFSBZDDJ-UHFFFAOYSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC(CCCCCCCCCCC)C)=O)OC |