| SpectraBase Compound ID | 5P7XMprV2ZR |
|---|---|
| InChI | InChI=1S/C7H12OS/c8-7-3-1-5-9-6-2-4-7/h1-6H2 |
| InChIKey | JEAURVWXXNRTKE-UHFFFAOYSA-N |
| Mol Weight | 144.23 g/mol |
| Molecular Formula | C7H12OS |
| Exact Mass | 144.060886 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8Bid9cS7lna |
|---|---|
| Name | 1-Thiacyclooctanone-5;5-thiocanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.060886179 u |
| Formula | C7H12OS |
| InChI | InChI=1S/C7H12OS/c8-7-3-1-5-9-6-2-4-7/h1-6H2 |
| InChIKey | JEAURVWXXNRTKE-UHFFFAOYSA-N |
| Molecular Weight | 144.232 g/mol |
| SMILES | C1SCCCC(CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.946931 |