| SpectraBase Compound ID | 45AKBrZ2O2u |
|---|---|
| InChI | InChI=1S/C15H13ClS/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-6,8-9,15H,7,10H2 |
| InChIKey | KONYBCYDEKTSTI-UHFFFAOYSA-N |
| Mol Weight | 260.78 g/mol |
| Molecular Formula | C15H13ClS |
| Exact Mass | 260.042649 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DK6FiFmWm1M |
|---|---|
| Name | 2-(4-Chlorophenyl)-3,4-dihydro-2H-1-benzothiopyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.042649293 u |
| Formula | C15H13ClS |
| InChI | InChI=1S/C15H13ClS/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-6,8-9,15H,7,10H2 |
| InChIKey | KONYBCYDEKTSTI-UHFFFAOYSA-N |
| SMILES | C=12SC(CCC2=CC=CC1)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914462 |