| SpectraBase Compound ID | 2OXHBU19RJ0 |
|---|---|
| InChI | InChI=1S/C9H16S/c1-3-5-9-6-4-7-10-8(9)2/h3,8-9H,1,4-7H2,2H3 |
| InChIKey | YZNCLTCRUVVAMV-UHFFFAOYSA-N |
| Mol Weight | 156.29 g/mol |
| Molecular Formula | C9H16S |
| Exact Mass | 156.097272 g/mol |
| SpectraBase Spectrum ID | 8JSY1Ll3RnS |
|---|---|
| Name | 2H-Thiopyran, tetrahydro-2-methyl-3-(2-propenyl)- |
| 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/c1-3-5-9-6-4-7-10-8(9)2/h3,8-9H,1,4-7H2,2H3 |
| InChIKey | YZNCLTCRUVVAMV-UHFFFAOYSA-N |
| Molecular Weight | 156.287 g/mol |
| SMILES | C1(SCCCC1CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932862 |