| SpectraBase Compound ID | Gj2s0laokRO |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-15-18-23-21(22)20-17-14-13-16-19(20)2/h13-14,16-17H,3-12,15,18H2,1-2H3 |
| InChIKey | MMJDBBMEDIQQKC-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 | 8HR98WUwYeJ |
|---|---|
| Name | o-Toluic acid, 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/c1-3-4-5-6-7-8-9-10-11-12-15-18-23-21(22)20-17-14-13-16-19(20)2/h13-14,16-17H,3-12,15,18H2,1-2H3 |
| InChIKey | MMJDBBMEDIQQKC-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCC)C=1C(C)=CC=CC1 |