| SpectraBase Compound ID | BaugCLShGoy |
|---|---|
| InChI | InChI=1S/C10H8O2S2/c1-14(12)10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3 |
| InChIKey | KVLAIBRBZGWARL-UHFFFAOYSA-N |
| Mol Weight | 224.29 g/mol |
| Molecular Formula | C10H8O2S2 |
| Exact Mass | 223.996572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LYrhOFz8HCJ |
|---|---|
| Name | 4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.996571844 u |
| Formula | C10H8O2S2 |
| InChI | InChI=1S/C10H8O2S2/c1-14(12)10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3 |
| InChIKey | KVLAIBRBZGWARL-UHFFFAOYSA-N |
| Molecular Weight | 224.292 g/mol |
| SMILES | C1(=O)C2=CC=CC=C2SC(=C1)S(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8483 |