| SpectraBase Compound ID | Bpwc2e7WFU1 |
|---|---|
| InChI | InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-22-18-14-11-10-12-15-18/h9-15H,2-8,16-17H2,1H3/b13-9+ |
| InChIKey | VGHZOGOKLCZGIS-UKTHLTGXSA-N |
| Mol Weight | 320.49 g/mol |
| Molecular Formula | C19H28O2S |
| Exact Mass | 320.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQnYAJrNPva |
|---|---|
| Name | (Phenylthio)acetic acid, undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.181001314 u |
| Formula | C19H28O2S |
| InChI | InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-22-18-14-11-10-12-15-18/h9-15H,2-8,16-17H2,1H3/b13-9+ |
| InChIKey | VGHZOGOKLCZGIS-UKTHLTGXSA-N |
| Molecular Weight | 320.491 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(=O)OC\C=C\CCCCCCCC |