| SpectraBase Compound ID | CfdSO5xEU |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-14-19-23-21(22)18-17-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3 |
| InChIKey | ZOKHYZTWHSXALP-UHFFFAOYSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 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 | F3JhzldfY31 |
|---|---|
| Name | Benzenepropanoic acid, dodecyl 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/c1-2-3-4-5-6-7-8-9-10-14-19-23-21(22)18-17-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3 |
| InChIKey | ZOKHYZTWHSXALP-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C1=CC(CCC(OCCCCCCCCCCCC)=O)=CC=C1 |