| SpectraBase Compound ID | 7S9l62beqEb |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-4-6-7-8-9-10-11-16-20(13-5-2)23-21(22)19-15-12-14-18(3)17-19/h12,14-15,17,20H,4-11,13,16H2,1-3H3 |
| InChIKey | DOKUUNVHHJRXTG-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 | LEZD16w1cUX |
|---|---|
| Name | m-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/c1-4-6-7-8-9-10-11-16-20(13-5-2)23-21(22)19-15-12-14-18(3)17-19/h12,14-15,17,20H,4-11,13,16H2,1-3H3 |
| InChIKey | DOKUUNVHHJRXTG-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC(CCCCCCCCC)CCC)=O)C |