| SpectraBase Compound ID | BTggxmCT66M |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-15-20-24-22(23)19-14-13-18-21-16-11-10-12-17-21/h9-12,15-17H,2-8,13-14,18-20H2,1H3/b15-9+ |
| InChIKey | FYBAHVUZFHGWCA-OQLLNIDSSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77199VwnOJd |
|---|---|
| Name | 5-Phenylvaleric acid, undec-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.255880333 u |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-15-20-24-22(23)19-14-13-18-21-16-11-10-12-17-21/h9-12,15-17H,2-8,13-14,18-20H2,1H3/b15-9+ |
| InChIKey | FYBAHVUZFHGWCA-OQLLNIDSSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | C(CCC(OC\C=C\CCCCCCCC)=O)CC=1C=CC=CC1 |