| SpectraBase Compound ID | IdOdOtbxt5 |
|---|---|
| InChI | InChI=1S/C10H14S/c1-2-10-9-4-7(1)3-8(5-9)6-11-10/h1-2,7-10H,3-6H2 |
| InChIKey | MJHOCRJBXAJQKE-UHFFFAOYSA-N |
| Mol Weight | 166.28 g/mol |
| Molecular Formula | C10H14S |
| Exact Mass | 166.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3XIatbnxjKn |
|---|---|
| Name | 3,6-Methano-2H-1-benzothiopyran, 3,4,4A,5,6,8A-hexahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.081621625 u |
| Formula | C10H14S |
| InChI | InChI=1S/C10H14S/c1-2-10-9-4-7(1)3-8(5-9)6-11-10/h1-2,7-10H,3-6H2 |
| InChIKey | MJHOCRJBXAJQKE-UHFFFAOYSA-N |
| Molecular Weight | 166.282 g/mol |
| SMILES | C12SCC3CC(CC2C3)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864452 |