![7-Methyl-trans-8-thiabicyclo[4.3.0]nonane](/api/spectrum/7bldno3DkpF/structure.png?h=300&w=458 "7-Methyl-trans-8-thiabicyclo[4.3.0]nonane")
| SpectraBase Compound ID | 7iw5I7FhYkH |
|---|---|
| InChI | InChI=1S/C9H16S/c1-7-9-5-3-2-4-8(9)6-10-7/h7-9H,2-6H2,1H3 |
| InChIKey | QIOVUTWHCKLQAT-UHFFFAOYSA-N |
| Mol Weight | 156.29 g/mol |
| Molecular Formula | C9H16S |
| Exact Mass | 156.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7bldno3DkpF |
|---|---|
| Name | 7-Methyl-trans-8-thiabicyclo[4.3.0]nonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.097271689 u |
| Formula | C9H16S |
| InChI | InChI=1S/C9H16S/c1-7-9-5-3-2-4-8(9)6-10-7/h7-9H,2-6H2,1H3 |
| InChIKey | QIOVUTWHCKLQAT-UHFFFAOYSA-N |
| Molecular Weight | 156.287 g/mol |
| SMILES | C1CCC2C(C1)C(C)SC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898157 |