| SpectraBase Compound ID | 4cZRQ3cTIw8 |
|---|---|
| InChI | InChI=1S/C10H8OS2/c1-12-10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3 |
| InChIKey | HEYIFIUEHPBBSC-UHFFFAOYSA-N |
| Mol Weight | 208.29 g/mol |
| Molecular Formula | C10H8OS2 |
| Exact Mass | 208.001657 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8V4epi6vD6h |
|---|---|
| Name | 2-(Methylthio)-1-benzothiopyran-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.001657225 u |
| Formula | C10H8OS2 |
| InChI | InChI=1S/C10H8OS2/c1-12-10-6-8(11)7-4-2-3-5-9(7)13-10/h2-6H,1H3 |
| InChIKey | HEYIFIUEHPBBSC-UHFFFAOYSA-N |
| Molecular Weight | 208.293 g/mol |
| SMILES | C1=C(SC=2C(C1=O)=CC=CC2)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891616 |