| SpectraBase Compound ID | 46DXBCkJxQG |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-14-17-22-20(21)19-16-13-12-15-18(19)2/h12-13,15-16H,3,6-11,14,17H2,1-2H3 |
| InChIKey | GOLJVAJTVIMORZ-UHFFFAOYSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tMYpJDzxdu |
|---|---|
| Name | o-Toluic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-14-17-22-20(21)19-16-13-12-15-18(19)2/h12-13,15-16H,3,6-11,14,17H2,1-2H3 |
| InChIKey | GOLJVAJTVIMORZ-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCCCC#CCC)(=O)C=1C(C)=CC=CC1 |