| SpectraBase Compound ID | 6CbtcpsGKVQ |
|---|---|
| InChI | InChI=1S/C9H14S/c1-8-5-3-4-6-9(8)7-10-2/h3-4,9H,1,5-7H2,2H3 |
| InChIKey | ZIZHGXKLHSOAAF-UHFFFAOYSA-N |
| Mol Weight | 154.27 g/mol |
| Molecular Formula | C9H14S |
| Exact Mass | 154.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A0Zrn7dVfmZ |
|---|---|
| Name | 4-Methylene-5-methylthiomethylcyclohexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.081621625 u |
| Formula | C9H14S |
| InChI | InChI=1S/C9H14S/c1-8-5-3-4-6-9(8)7-10-2/h3-4,9H,1,5-7H2,2H3 |
| InChIKey | ZIZHGXKLHSOAAF-UHFFFAOYSA-N |
| Molecular Weight | 154.271 g/mol |
| SMILES | C1C(CSC)C(=C)CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928985 |