| SpectraBase Compound ID | 1Xj5XBmZ59E |
|---|---|
| InChI | InChI=1S/C11H16S/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4- |
| InChIKey | IRVMUSROOCPJJU-PLNGDYQASA-N |
| Mol Weight | 180.31 g/mol |
| Molecular Formula | C11H16S |
| Exact Mass | 180.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LJWtreNZcfX |
|---|---|
| Name | 3-Methyl-2-(Z-2-pentenyl)-2-cyclopentene-1-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.097271689 u |
| Formula | C11H16S |
| InChI | InChI=1S/C11H16S/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4- |
| InChIKey | IRVMUSROOCPJJU-PLNGDYQASA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | C1(C(=C(CC1)C)C\C=C/CC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8262 |