| SpectraBase Compound ID | FU2iesDlTyS |
|---|---|
| InChI | InChI=1S/C10H12S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10H,6-8H2 |
| InChIKey | MMBMCZZLHYNDRS-UHFFFAOYSA-N |
| Mol Weight | 164.27 g/mol |
| Molecular Formula | C10H12S |
| Exact Mass | 164.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1p9oxzlJcow |
|---|---|
| Name | 3-Phenylthiolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.065971560 u |
| Formula | C10H12S |
| InChI | InChI=1S/C10H12S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10H,6-8H2 |
| InChIKey | MMBMCZZLHYNDRS-UHFFFAOYSA-N |
| Molecular Weight | 164.266 g/mol |
| SMILES | C1C(CSC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961767 |