| SpectraBase Compound ID | 8jmtH1WoPqC |
|---|---|
| InChI | InChI=1S/C11H14O2S/c1-3-13-11(12)9-6-5-7-10(8-9)14-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | CFYKQXZGVYROJJ-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 | CoNwhzMuISZ |
|---|---|
| Name | Benzoic acid, 3-(ethylthio)-, ethyl ester |
| 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/c1-3-13-11(12)9-6-5-7-10(8-9)14-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | CFYKQXZGVYROJJ-UHFFFAOYSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OCC)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840885 |