| SpectraBase Compound ID | BR8Z6U5i8Rd |
|---|---|
| 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/h2,10-12,14-15H,1,3-9,13,16-17H2 |
| InChIKey | HRLFUSLYOOAIFI-UHFFFAOYSA-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 | GQLwrZBBz7z |
|---|---|
| Name | (Phenylthio)acetic acid, undec-10-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/h2,10-12,14-15H,1,3-9,13,16-17H2 |
| InChIKey | HRLFUSLYOOAIFI-UHFFFAOYSA-N |
| Molecular Weight | 320.491 g/mol |
| SMILES | C1=CC(=CC=C1)SCC(OCCCCCCCCCC=C)=O |