| SpectraBase Compound ID | 1s9i9UMtGez |
|---|---|
| InChI | InChI=1S/C11H14O2S/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | PEPOQQRRKLMLJV-UHFFFAOYSA-N |
| Mol Weight | 210.29 g/mol |
| Molecular Formula | C11H14O2S |
| Exact Mass | 210.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9axeY58DKwa |
|---|---|
| Name | Ethyl 3-(phenylsulfanyl)propanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.071450863 u |
| Formula | C11H14O2S |
| InChI | InChI=1S/C11H14O2S/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | PEPOQQRRKLMLJV-UHFFFAOYSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | C(CCSC=1C=CC=CC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89472 |