| SpectraBase Compound ID | CEzIOT06yY9 |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-4-6-7-8-9-10-11-15-18(14-5-2)24-21(22)19-16-12-13-17-20(19)23-3/h12-13,16-18H,4-11,14-15H2,1-3H3 |
| InChIKey | NMBUPNBVEJSGFJ-UHFFFAOYSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 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 | 7LqcQ9FTnuh |
|---|---|
| Name | o-Anisic acid, 4-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.250794952 u |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-4-6-7-8-9-10-11-15-18(14-5-2)24-21(22)19-16-12-13-17-20(19)23-3/h12-13,16-18H,4-11,14-15H2,1-3H3 |
| InChIKey | NMBUPNBVEJSGFJ-UHFFFAOYSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC(CCCCCCCCC)CCC)=O)OC |