| SpectraBase Compound ID | 1cPl5jDxVHU |
|---|---|
| InChI | InChI=1S/C7H12S/c1-2-4-6-8-7-5-3-1/h4,6H,1-3,5,7H2/b6-4- |
| InChIKey | RTOMXUBLKUNZSO-XQRVVYSFSA-N |
| Mol Weight | 128.23 g/mol |
| Molecular Formula | C7H12S |
| Exact Mass | 128.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4iq4ixW1Tbf |
|---|---|
| Name | 3,4,5,6-Tetrahydro-2H-thiocin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.065971560 u |
| Formula | C7H12S |
| InChI | InChI=1S/C7H12S/c1-2-4-6-8-7-5-3-1/h4,6H,1-3,5,7H2/b6-4- |
| InChIKey | RTOMXUBLKUNZSO-XQRVVYSFSA-N |
| Molecular Weight | 128.233 g/mol |
| SMILES | C1\C=C/SCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858801 |