| SpectraBase Compound ID | BThj32OUkjR |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-12-15-18(19)20-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3 |
| InChIKey | BBDULIAMCCXFCV-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2tPNrhoFVVE |
|---|---|
| Name | Undecanoic acid, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-12-15-18(19)20-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3 |
| InChIKey | BBDULIAMCCXFCV-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C1=CC(=CC=C1)COC(=O)CCCCCCCCCC |