| SpectraBase Compound ID | FYu21cG8s6E |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-4-6-7-8-9-10-11-16-19(14-5-2)23-21(22)20-17-13-12-15-18(20)3/h12-13,15,17,19H,4-11,14,16H2,1-3H3 |
| InChIKey | QKFKEVVFTCGCBV-UHFFFAOYSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EcGF2hD488D |
|---|---|
| Name | o-Toluic 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/c1-4-6-7-8-9-10-11-16-19(14-5-2)23-21(22)20-17-13-12-15-18(20)3/h12-13,15,17,19H,4-11,14,16H2,1-3H3 |
| InChIKey | QKFKEVVFTCGCBV-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C1=CC=C(C(=C1)C)C(OC(CCCCCCCCC)CCC)=O |