| SpectraBase Compound ID | HDbWzmuHQzp |
|---|---|
| InChI | InChI=1S/C11H10O3S/c1-13-8-3-4-9(14-2)11-10(8)7(12)5-6-15-11/h3-6H,1-2H3 |
| InChIKey | BSYJFEJBKRDDFM-UHFFFAOYSA-N |
| Mol Weight | 222.26 g/mol |
| Molecular Formula | C11H10O3S |
| Exact Mass | 222.035065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8j28tRPGA5X |
|---|---|
| Name | 5,8-Dimethoxy-1-benzothiopyran-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.035065353 u |
| Formula | C11H10O3S |
| InChI | InChI=1S/C11H10O3S/c1-13-8-3-4-9(14-2)11-10(8)7(12)5-6-15-11/h3-6H,1-2H3 |
| InChIKey | BSYJFEJBKRDDFM-UHFFFAOYSA-N |
| Molecular Weight | 222.258 g/mol |
| SMILES | C=12C(SC=CC2=O)=C(OC)C=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806193 |