| SpectraBase Compound ID | kzJ55s0iFC |
|---|---|
| InChI | InChI=1S/C9H11ClS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | UQSMMTFBNJUPGW-UHFFFAOYSA-N |
| Mol Weight | 186.7 g/mol |
| Molecular Formula | C9H11ClS |
| Exact Mass | 186.026999 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FhJJ8lMxI5F |
|---|---|
| Name | 2-Chloroethyl benzyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.026999228 u |
| Formula | C9H11ClS |
| InChI | InChI=1S/C9H11ClS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | UQSMMTFBNJUPGW-UHFFFAOYSA-N |
| Molecular Weight | 186.700 g/mol |
| SMILES | C1=CC(=CC=C1)CSCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897069 |