| SpectraBase Compound ID | E17VYR7LTc2 |
|---|---|
| InChI | InChI=1S/C8H10O2S/c1-2-11(10)8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3 |
| InChIKey | ILGRDXRBPFWJAW-UHFFFAOYSA-N |
| Mol Weight | 170.23 g/mol |
| Molecular Formula | C8H10O2S |
| Exact Mass | 170.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9AiBDP219Cc |
|---|---|
| Name | Phenol, o-(ethylsulfinyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.040150734 u |
| Formula | C8H10O2S |
| InChI | InChI=1S/C8H10O2S/c1-2-11(10)8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3 |
| InChIKey | ILGRDXRBPFWJAW-UHFFFAOYSA-N |
| Molecular Weight | 170.226 g/mol |
| SMILES | CCS(=O)C1=C(O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851981 |