| SpectraBase Compound ID | ASjuhmdXeV9 |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-21(22)19-15-14-16-20(18-19)23-2/h14-16,18H,3-11,17H2,1-2H3 |
| InChIKey | MFXYRCBEMYFFSU-UHFFFAOYSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 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 | 2xYAcPaCXO3 |
|---|---|
| Name | m-Anisic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.219494823 u |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-21(22)19-15-14-16-20(18-19)23-2/h14-16,18H,3-11,17H2,1-2H3 |
| InChIKey | MFXYRCBEMYFFSU-UHFFFAOYSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | C(=O)(OCC#CCCCCCCCCCC)C=1C=C(OC)C=CC1 |