| SpectraBase Compound ID | IZl8WxucqWs |
|---|---|
| InChI | InChI=1S/C11H14S/c1-2-6-10-7-3-4-8-11(10)12-9-5-1/h3-4,7-8H,1-2,5-6,9H2 |
| InChIKey | QXWUYDWEWGMDSV-UHFFFAOYSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C11H14S |
| Exact Mass | 178.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JIR1ovHkw5y |
|---|---|
| Name | 3,4,5,6-Tetrahydro-2H-1-benzothiocin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.081621625 u |
| Formula | C11H14S |
| InChI | InChI=1S/C11H14S/c1-2-6-10-7-3-4-8-11(10)12-9-5-1/h3-4,7-8H,1-2,5-6,9H2 |
| InChIKey | QXWUYDWEWGMDSV-UHFFFAOYSA-N |
| Molecular Weight | 178.293 g/mol |
| SMILES | C=12SCCCCCC2=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927999 |