| SpectraBase Compound ID | 2QVNbor5tBL |
|---|---|
| InChI | InChI=1S/C9H11ClOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3 |
| InChIKey | CHHYHUZLMAKWAS-UHFFFAOYSA-N |
| Mol Weight | 202.7 g/mol |
| Molecular Formula | C9H11ClOS |
| Exact Mass | 202.021914 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8nZM3EDqym6 |
|---|---|
| Name | 1-(p-Chlorophenylthio)-2-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.021913847 u |
| Formula | C9H11ClOS |
| InChI | InChI=1S/C9H11ClOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3 |
| InChIKey | CHHYHUZLMAKWAS-UHFFFAOYSA-N |
| Molecular Weight | 202.699 g/mol |
| SMILES | C1(=CC=C(C=C1)SCC(O)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874653 |