| SpectraBase Compound ID | C5BkaFYRVnp |
|---|---|
| InChI | InChI=1S/C11H14O2S/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | PGNCCKPNZYBMHV-UHFFFAOYSA-N |
| Mol Weight | 210.29 g/mol |
| Molecular Formula | C11H14O2S |
| Exact Mass | 210.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8W0O7rhMmYz |
|---|---|
| Name | (Phenylthio)acetic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.071450863 u |
| Formula | C11H14O2S |
| InChI | InChI=1S/C11H14O2S/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | PGNCCKPNZYBMHV-UHFFFAOYSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(OCCC)=O |